y

(5-Fluoro-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-1-ido-κN1)(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4N)zinc(II) perchlorate

In the structure of the title complex, [Zn(C4H2FN2O2)(C10H24N4)]ClO4, the zinc(II) ion forms coordination bonds with the four nitro­gen atoms of cyclam (1,4,8,11-tetra­aza­cyclo­tetra­decane or [14]aneN4) as well as with the nitro­gen atom of a deprotonated 5-fluoro­uracil ion (FU−). Cyclam adopts a trans-I type conformation within this structure. The coordination structure of the zinc(II) ion is a square pyramid with a distorted base plane formed by the four nitro­gen atoms of the cyclam. FU− engages in inter­molecular hydrogen bonding with neighboring FU− mol­ecules and with the cyclam mol­ecule.




y

Chlorido­(2-{(2-hy­droxy­eth­yl)[tris­(hy­droxy­meth­yl)meth­yl]amino}­ethano­lato-κ5N,O,O',O'',O''')copper(II)

The title complex, [Cu(C8H18NO5)Cl] or [Cu(H4bis-tris­)Cl], was obtained starting from the previously reported [Cu(H5bis-tris­)Cl]Cl compound. The deprotonation of the amino­polyol ligand H5bis-tris {[bis­(2-hy­droxy­eth­yl)amino]­tris­(hy­droxy­meth­yl)methane, C8H19NO5} promotes the formation of a very strong O—H⋯O inter­molecular hydrogen bond, characterized by an H⋯O separation of 1.553 (19) Å and an O—H⋯O angle of 178 (4)°. The remaining hy­droxy groups are also engaged in hydrogen bonds, forming R22(8), R44(16), R44(20) and R44(22) ring motifs, which stabilize the triperiodic supra­molecular network.




y

Octa­kis(di­butyl­ammonium) deca­molybdate(VI)

In the title salt, (C8H20N)8[Mo10O34], the [Mo10O34]8− polyanion is located about an inversion centre and can be considered as a β-type octa­molybdate anion to which two additional MoO4 tetra­hedra are linked via common corners. The [Mo10O34]8− polyanions are packed in rows extending parallel to [001] and are connected to the di­butyl­ammonium counter-cations through N—H⋯O hydrogen-bonding inter­actions.




y

2-(10-Bromo­anthracen-9-yl)-N-phenyl­aniline

In the title compound, C26H18BrN, the central benzene ring makes dihedral angles with its adjacent anthracene ring system and pendant benzene ring of 87.49 (13) and 62.01 (17)°, respectively. The N—H moiety is sterically blocked from forming a hydrogen bond, but weak C—H⋯π inter­actions occur in the extended structure.




y

Tetra­kis(2,4,6-tri­methyl­anilido)tin(IV)

Transamination of Sn(NMe2)4 with H2NMes (Mes is 2,4,6-tri­methyl­phenyl, C9H11) led to the formation of the title compound, [Sn(C9H12N)4] or Sn(NHMes)4, which crystallizes in the tetra­gonal space group Poverline{4}21c, with four formula units per unit cell. The mol­ecular structure consists of a central tin(IV) atom, which is surrounded by four NHMes groups. Sn(NHMes)4 possesses crystallographically imposed overline{4} symmetry. The SnN4 coordination polyhedron is best described as a compressed bis­phenoid.




y

(S)-2-Carb­oxy­ethyl l-cysteinyl sulfone

The title compound {systematic name: (2S)-2-aza­niumyl-3-[(2-carb­oxy­ethane)­sulfon­yl]propano­ate}, C6H11NO6S, forms enanti­opure crystals in the monoclinic space group P21 and exists as a zwitterion, with a protonated α-amino group and a deprotonated α-carboxyl group. Both the carboxyl groups and the amino group are involved in an extensive multicentered inter­molecular hydrogen-bonding scheme. In the crystal, the diperiodic network of hydrogen bonds propagates parallel to (101) and involves inter­connected heterodromic R43(10) rings. Electrostatic forces are major contributors to the structure energy, which was estimated by DFT calculations as Etotal = −333.5 kJ mol−1.




y

Ilmenite-type Na2(Fe2/3Te4/3)O6

Na2(Fe2/3Te4/3)O6 (Z = 3) or Na3(FeTe2)O9 (Z = 2), tris­odium iron(III) ditellurium(VI) nona­oxide, adopts the ilmenite (FeTiO3, Z = 6) structure type with the Ti site (site symmetry 3.) replaced by Na and the Fe site (site symmetry 3.) replaced by a mixed-occupied (FeIII,TeVI) site in a Fe:Te ratio of 1:2. Whereas the [(Fe,Te)O6] octa­hedron is only slightly distorted, the [NaO6] octa­hedron shows much stronger distortions, as revealed by a larger spread of the bond lengths and some distortion parameters.




y

Poly[[{μ2-5-[(di­methyl­amino)(thioxo)meth­oxy]benzene-1,3-di­carboxyl­ato-κ4O1,O1':O3,O3'}(μ2-4,4'-di­pyridyl­amine-κ2N4:N4')cobalt(II)] di­methyl­formamide hemisolvate monohydrate]

In the crystal structure of the title compound, {[Co(C11H9NSO5)(C10H9N3)]0.5C3H7NO·H2O}n or {[Co(dmtb)(dpa)]·0.5DMF·H2O}n (dmtb2– = 5-[(di­meth­yl­amino)­thioxometh­oxy]-1,3-benzene­dicarboxyl­ate and dpa = 4,4'-di­pyridyl­amine), an assembly of periodic [Co(C11H9NSO5)(C10H9N3)]n layers extending parallel to the bc plane is present. Each layer is constituted by distorted [CoO4N2] octa­hedra, which are connected through the μ2-coordination modes of both dmtb2– and dpa ligands. Occupationally disordered water and di­meth­yl­formamide (DMF) solvent mol­ecules are located in the voids of the network to which they are connected through hydrogen-bonding inter­actions.




y

2-Oxo-2H-chromen-4-yl 3,3-di­methyl­butano­ate

In the crystal of the title compound, C15H16O4, the mol­ecules are connected through C—H⋯O hydrogen bonds, generating [100] chains, which are crosslinked by weak π–π stacking inter­actions.




y

(2,5-Di­methyl­imidazole){N,N',N'',N'''-[porphyrin-5,10,15,20-tetra­yltetra­(2,1-phenyl­ene)]tetra­kis(pyridine-3-carboxamide)}manganese(II) chloro­benzene disolvate

In the title compound, [Mn(C68H44N12O4)(C5H8N2)]·2C6H5Cl, the central MnII ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di­methyl­imidazole ligand in the apical site. Two chloro­benzene solvent mol­ecules are also present in the asymmetric unit. Due to the apical imidazole ligand, the Mn atom is displaced out of the 24-atom porphyrin mean plane by 0.66 Å. The average Mn—Np (p = porphyrin) bond length is 2.143 (8) Å, and the axial Mn—NIm (Im = 2,5-di­methyl­imidazole) bond length is 2.171 (8) Å. The structure displays inter­molecular and intra­molecular N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonding. The crystal studied was refined as a two-component inversion twin.




y

(4-Butyl-1-ethyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate

The title compound, [Ir(C8H12)(C8H15N3)(C18H15P)]BF4, a new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion, crystallizes with two cations and two anions in the asymmetric unit of space group Pc. The Ir centers of the cations have distorted square-planar conformations, formed by a bidentate (η2 + η2) cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene and a tri­phenyl­phosphane ligand with the NHC carbon atom and P atom being cis. In the extended structure, non-classical C–H⋯F hydrogen bonds, one of which is notably short (H⋯F = 2.21 Å), link the cations and anions. The carbon atoms of one of the COD ligands are disordered over adjacent sites in a 0.62:0.38 ratio.




y

Triaceto­nitrile­(1,4,7-trimethyl-1,4,7-tri­aza­cyclonona­ne)cobalt(II) bis­(tetra­phenyl­borate)

The title cobalt(II) complex, [Co(C2H3N)3(C9H21N3)](C24H20B)2 or [(tacn)Co(NCMe)3][BPh4]2, has been characterized by single-crystal X-ray diffraction. It incorporates the well-known macrocyclic tacn (1,4,7-trimethyl-1,4,7-tri­aza­cyclo­nona­ne) ligand, which is coordinated facially to the metal center. The complex crystallizes in space group P21/c with Z = 4. The divalent cobalt ion exhibits a six-coordinate octa­hedral geometry by one tacn and three aceto­nitrile ligands. Two non-coordinating tetra­phenyl­borate (BPh4−) anions are also present.




y

Bis{(S)-(−)-N-[(2-biphen­yl)methyl­idene]-1-(4-meth­oxy­phen­yl)ethyl­amine-κN}di­chlorido­palladium(II)

The PdII complex bis­{(S)-(−)-N-[(biphenyl-2-yl)methyl­idene]1-(4-meth­oxy­phen­yl)ethanamine-κN}di­chlorido­palladium(II), [PdCl2(C22H21NO)2], crystallizes in the monoclinic Sohncke space group P21 with a single mol­ecule in the asymmetric unit. The coordination environment around the palladium is slightly distorted square planar. The N—Pd—Cl bond angles are 91.85 (19), 88.10 (17), 89.96 (18), and 90.0 (2)°, while the Pd—Cl and Pd—N bond lengths are 2.310 (2) and 2.315 (2) Å and 2.015 (2) and 2.022 (6) Å, respectively. The crystal structure features inter­molecular N—H⋯Cl and intramolecular C—H⋯Pd inter­actions, which lead to the formation of a supramolecular framework structure.




y

Bis(8-hy­droxy­quinolinium) naphthalene-1,5-di­sulfonate tetra­hydrate

The inter­action between 8-hy­droxy­quinoline (8HQ, C9H7NO) and naphthalene-1,5-di­sulfonic acid (H2NDS, C10H8O6S2) in aqueous media results in the formation of the salt hydrate bis­(8-hy­droxy­quinolinium) naphthalene-1,5-di­sulfonate tetra­hydrate, 2C9H8NO+·C10H6O6S22−·4H2O. The asymmetric unit comprises one protonated 8HQ+ cation, half of an NDS2– dianion symmetrically disposed around a center of inversion, and two water mol­ecules. Within the crystal structure, these components are organized into chains along the [010] and [10overline{1}] directions through O—H⋯O and N—H⋯O hydrogen-bonding inter­actions, forming a di-periodic network parallel to (101). Additional stabilizing inter­actions such as C—H⋯O, C—H⋯π, and π–π inter­actions extend this arrangement into a tri-periodic network structure




y

6-[4-(tert-Butyl­dimethyl­sil­yloxy)phen­yl]-1-oxa­spiro­[2.5]hepta­ne

The title compound, C19H30O2Si, has triclinic (Poverline{1}) symmetry at 100 K. The O atom of the epoxide group has a pseudoaxial orientation and the dihedral angle between the cyclo­hexyl and benzene rings is 85.80 (8)°. The C—O—Si—Ct (t = tert-but­yl) torsion angle is −177.40 (14)°. In the crystal, pairwise C—H⋯O links connect the mol­ecules into inversion dimers featuring R22(8) loops.




y

2-(Pyridin-4-yl)-2,3-di­hydro-1H-naphtho­[1,8-de][1,3,2]di­aza­borinine

The title compound, C15H12BN3, is a type of di­aza­borinane featuring substitution at 1, 2, and 3 positions in the nitro­gen–boron six-membered heterocycle. It is comprised of two almost planar units, the pyridyl ring and the Bdan (dan = 1,8-di­aminona­phtho) group, which subtend a dihedral angle of 24.57 (5)°. In the crystal, the mol­ecules are linked into R44(28) hydrogen-bonding networks around the fourfold inversion axis, giving cyclic tetra­mers. The mol­ecules form columnar stacks along the c axis.




y

trans-Di­aqua­tetra­kis­(tetra­hydro­furan-κO)iron(II) μ-carbonyl-tetra­deca­carbonyl­tetra­chlorido-μ-di­methyl­silanediolato-tetra­galliumtetra­iron(7 Ga–Fe)(Fe–Fe) tetra­hydro&#

The title compound, [Fe(C4H8O)4(H2O)2][Fe4Ga4(C2H6O2Si)Cl4(CO)15]·4C4H8O, consists of an iron(II) cation octa­hedrally coordinated by two water mol­ecules (trans) with four tetra­hydro­furans (THF) at equatorial sites. Two additional THF mol­ecules are hydrogen bonded to each of the water mol­ecules. The dianion of the title compound is an organometallic butterfly complex with a dimethyl siloxane core and two iron-gallium fragments. The lengths of the iron to gallium metal–metal bonds range from 2.3875 (6) to 2.4912 (6) Å.




y

Poly[[μ3-2-(benzotriazol-1-yl)acetato-κ3O:O':N3]chlorido­(ethanol-κO)cobalt(II)]

In the title compound, [Co(C8H6N3O2)Cl(C2H5OH)]n, the CoII atoms adopt octa­hedral trans-CoN2O4 and tetra­hedral CoCl2O2 coordination geometries (site symmetries overline{1} and m, respectively). The bridging μ3-O:O:N 2-(benzotriazol-1-yl)acetato ligands connect the octa­hedral cobalt nodes into (010) sheets and the CoCl2 fragments link the sheets into a tri-periodic network. The structure displays O—H⋯O hydrogen bonding and the ethanol mol­ecule is disordered over two orientations.




y

Dicarbonyl-1κ2C-μ-chlorido-2:3κ2Cl:Cl-penta­chlorido-2κ2Cl,3κ3Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru—Ga)

The title compound, [RuGa2Cl6(C7H8)(CO)2] or [(CO)2(GaCl2)(η6-toluene)Ru]+[GaCl4]−, was isolated from the reaction of Ga2Cl4 with di­phenyl­silanediol in toluene, followed by the addition of Ru3(CO)12. The compound contains a ruthenium–gallium metal–metal bond with a length of 2.4575 (2) Å.




y

[1-(Anthracen-9-ylmeth­yl)-1,4,7,10-tetra­aza­cyclododeca­ne]chlorido­zinc(II) nitrate

In the title salt, [ZnCl(C23H30N4)]NO3, the central ZnII atom of the complex cation is coordinated in a square-pyramidal arrangement by four nitro­gen atoms from cyclen (1,4,7,10-tetra­aza­cyclo­dodeca­ne) in the basal plane and one chlorido ligand in the apical position. The anthracene group attached to cyclen contributes to the crystal packing through inter­molecular T-shaped π inter­actions. Additionally, the nitrate anion participates in inter­molecular N—H⋯O hydrogen bonds with cyclen.




y

Bis(ethyl­enedi­ammonium) μ-ethyl­enedi­aminetetra­acetato-1κ3O,N,O':2κ3O'',N',O'''-bis­[tri­oxidomolybdate(VI)] tetra­hydrate

The title compound, (C2H10N2)2[(C10H12N2O8)(MoO3)2]·4H2O, which crystallizes in the monoclinic C2/c space group, was obtained by mixing molybdenum oxide, ethyl­enedi­amine and ethyl­enedi­amine­tetra­acetic acid (H4edta) in a 2:4:1 ratio. The complex anion contains two MoO3 units bridged by an edta4− anion. The midpoint of the central C—C bond of the edta4− anion is located on a crystallographic inversion centre. The independent Mo atom is tridentately coordin­ated by a nitro­gen atom and two carboxyl­ate groups of the edta4− ligand, together with the three oxo ligands, producing a distorted octa­hedral coordination environment. In the three-dimensional supra­molecular crystal structure, the dinuclear anions, the organo­ammonium counter-ions and the solvent water mol­ecules are linked by N—H⋯Ow, N—H⋯Oedta and O—H⋯O hydrogen bonds.




y

Chlorido­[(1,2,5,6-η)-cyclo­octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl­idene)rhodium(I)

A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C8H12)(C8H15N3)], has been synthesized and structurally characterized. The complex crystallizes with two mol­ecules in the asymmetric unit. The central rhodium(I) atom has a distorted square-planar coordination environment, formed by a cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chlorido ligand. The bond lengths are unexceptional. A weak inter­molecular non-standard hydrogen-bonding inter­action exists between the chlorido and NHC ligands.




y

(η6-Benzene)­chlorido­[(S)-2-(4-isopropyl-4,5-di­hydro­oxazol-2-yl)phenolato]ruthenium(II)

The title compound, [Ru(C12H14NO2)Cl(η6-C6H6)], exhibits a half-sandwich tripod stand structure and crystallizes in the ortho­rhom­bic space group P212121. The arene group is η6 π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (S)-2-(4-isopropyl-4,5-di­hydro­oxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms. The pseudo-octa­hedral geometry assumed by the complex is completed by a chloride ligand. The coordination of the optically pure bidentate ligand induces metal centered chirality onto the complex with a Flack parameter of −0.056.




y

Diisobutyl­ammonium tri­phenyl(2-thiolato­acetato-κ2O,S)stannate(IV)

Crystals of the title salt, (C8H20N)[Sn(C6H5)3(C2H2O2S)], comprise diisobutyl­ammonium cations and mercapto­acetato­tri­phenyl­stannate(IV) anions. The bidentate binding mode of the mercapto­acetate ligand gives rise to a five-coordinated, ionic tri­phenyl­tin complex with a distorted cis-trigonal–bipyramidal geometry around the tin atom. In the crystal, charge-assisted ammonium-N—H⋯O(carboxyl­ate) hydrogen-bonding connects two cations and two anions into a four-ion aggregate. Two positions were resolved for one of the phenyl rings with the major component having a site occupancy factor of 0.60 (3).




y

[(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phosphane)rhodium(I) tetra­fluorido­borate

A new, cationic N-heterocyclic carbene RhI complex with a tetra­fluorido­borate counter-anion, [Rh(C8H12)(C8H15N3)(C18H15P)]BF4, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit. Each complex cation exhibits a distorted square-planar conformation around the RhI atom. Bond lengths and bond angles are as expected for an Rh–NHC complex. There are several close, non-standard C—H⋯F hydrogen-bonding inter­actions between the ions. One of the tetra­fluorido­borate anions shows statistical disorder of the F atoms.




y

4-[(2-Phenyl­eth­yl)amino]­benzoic acid

The title compound, C15H15NO2, crystallizes with two mol­ecules in the asymmetric unit. In the crystal, the two mol­ecules associate to form an acid–acid dimer by pairwise O—H⋯O hydrogen bonds.




y

Redetermined structure of 4-(benz­yloxy)benzoic acid

In the title compound, C14H14O3, the dihedral angle between the aromatic rings is 39.76 (9)°. In the crystal, the mol­ecules associate to form centrosymmetric acid–acid dimers linked by pairwise O—H⋯O hydrogen bonds. The precision of the geometric parameters in the present single-crystal study is about an order of magnitude better than the previous powder diffraction study [Chattopadhyay et al. (2013). CrystEngComm, 15, 1077–1085].




y

Di­chloridotetra­kis­(3-meth­oxy­aniline)nickel(II)

The reaction of nickel(II) chloride with 3-meth­oxy­aniline yielded di­chlorido­tetra­kis­(3-meth­oxy­aniline)nickel(II), [NiCl2(C7H9NO)4], as yellow crystals. The NiII ion is pseudo-octa­hedral with the chloride ions trans to each other. The four 3-meth­oxy­aniline ligands differ primarily due to different conformations about the Ni—N bond, which also affect the hydrogen bonding. Inter­molecular N—H⋯ Cl hydrogen bonds and short Cl⋯Cl contacts between mol­ecules link them into chains parallel to the b axis.




y

Methyl 2-[(Z)-5-bromo-2-oxoindolin-3-yl­idene]­hydrazinecarbodi­thio­ate

The title compound, C10H8BrN3OS2, a brominated di­thio­carbazate imine deriv­ative, was obtained from the condensation reaction of S-methyl­dithio­carbazate (SMDTC) and 5-bromo­isatin. The essentially planar mol­ecule exhibits a Z configuration, with the di­thio­carbazate and 5-bromo­isatin fragments located on the same sides of the C=N azomethine bond, which allows for the formation of an intra­molecular N—H⋯Ob (b = bromo­isatin) hydrogen bond generating an S(6) ring motif. In the crystal, adjacent mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming dimers characterized by an R22(8) loop motif. In the extended structure, mol­ecules are linked into a three-dimensional network by C—H⋯S and C—H⋯Br hydrogen bonds, C—Br⋯S halogen bonds and aromatic π–π stacking.




y

Bis[μ-3-(pyridin-2-yl)pyrazolato]bis­[acetato­(3,5-dimethyl-1H-pyrazole)­nickel(II)]

The title compound, [Ni2(C8H6N3)2(C2H3O2)2(C5H8N2)2] or [Ni(μ-OOCCH3)(2-PyPz)(Me2PzH)]2 (1) [2-PyPz = 3-(pyridin-2-yl) pyrazole; Me2PzH = 3,5-dimethyl pyrazole] was synthesized from Ni(OOCCH3)2·4H2O, 2-PyPzH, Me2PzH and tri­ethyl­amine as a base. Compound 1 {[Ni2(C30H34N10Ni2O4)]} at 100 K has monoclinic (P21/n) symmetry and the mol­ecules have crystallographic inversion symmetry. Mol­ecules of 1 comprise an almost planar dinuclear NiII core with an N4O2 coordination environment. The equatorial plane consists of N3,O coordination derived from one of the bidentate acetate O atoms and three of the N atoms of the chelating 2-PyPz ligand while the axial positions are occupied by neutral Me2PzH and the second O atom of the acetate unit. The Ni atoms are bridged by the nitro­gen atom of a deprotonated 2-PyPz ligand. Compound 1 exhibits various inter- and intra­molecular C—H⋯O and N—H⋯O hydrogen bonds.




y

Bis(2-carb­oxy­quinolinium) hexa­chlorido­stan­nate(IV) dihydrate

In the hydrated title salt, (C10H8NO2)2[SnCl6]·2H2O, the tin(IV) atom is located about a center of inversion. In the crystal structure, the organic cation, the octa­hedral inorganic anion and the water mol­ecule of crystallization inter­act through O—H⋯O, N—H⋯O and O—H⋯Cl hydrogen bonds, supplemented by weak π–π stacking between neighboring cations, and C—Cl⋯π inter­actions.




y

Pyridinium tosyl­ate

The title compound (systematic name: pyridinium 4-methyl­benzene­sulfonate), C5H6N+·C7H7O3S−, is the pyridinium salt of para-toluene­sulfonic acid. In the crystal, classical N—H⋯O hydrogen bonds as well as C—H⋯O contacts connect the cationic and anionic entities into sheets lying parallel to the ab plane.




y

Poly[tris­(2-amino­butan-1-ol)copper(II) [hexa­kis-μ2-cyanido-κ12C:N-tetra­copper(I)] bis­(2-amino­butan-1-olato)aqua­copper(II) monohydrate]

The title structure, {[Cu(C4H11NO)3][Cu4(CN)6]·[Cu(C4H10NO)2(H2O)]·H2O}n, is made up of diperiodic honeycomb CuICN networks built from [Cu4(CN)6]2− units, together with two independent CuII complexes: six-coord­inate [Cu(CH3CH2CH(NH2)CH2OH)3]2+ cations, and five-coordinate [Cu(CH3CH2CH(NH2)CH2O)2·H2O] neutral species. The two CuII complexes are not covalently bonded to the CuICN networks. Strong O—H⋯O hydrogen bonds link the CuII complexes into pairs and the pairs are hydrogen bonded into chains along the crystallographic b axis via the hydrate water mol­ecule. In addition, O—H⋯(CN) and N—H⋯(CN) hydrogen bonds link the cations to the CuCN network. In the honeycomb polymeric moiety, all bridging cyanido ligands are disordered over two orientations, head-to-tail and tail-to-head, with occupancies for C and N atoms varying for each CN group.




y

catena-Poly[[(8-amino­quinoline)­cobalt(II)]-di-μ-azido]

The title coordination polymer, [Co(N3)2(C9H8N2)]n, was synthesized solvothermally. The CoII atom exhibits a distorted octa­hedral [CoN6] coordination geometry with a bidentate 8-amino­quinoline ligand and four azide ligands. Bridging azide ligands result in chains extending along [100]. N—H⋯N hydrogen bonds join the chains to give an extended structure with sheets parallel to (002).




y

μ-Chlorido-bis­{[1-benzyl-3-(2,4,6-tri­methyl­phen­yl)imidazol-2-yl­idene-κC]silver(I)} chloride 1,2-di­chloro­ethane hemisolvate

The title compound, [Ag2(C19H20N2)4]Cl·0.5C2H4Cl2, can be readily generated by treatment of (1-benzyl-3-(2,4,6-tri­methyl­phen­yl)imidazolium chloride with sodium bis­(tri­methyl­sil­yl)amide followed by silver chloride. The mol­ecular structure of the compound was confirmed using NMR spectroscopy and single-crystal X-ray diffraction analysis. The crystal structure of the title compound at 110 K has monoclinic (P21/c) symmetry. The represented silver compound is of inter­est with respect to anti­bacterial properties and the structure displays a series of weak inter­molecular hydrogen-bonding inter­actions with the chloride counter-anion.




y

Bis[2-(isoquinolin-1-yl)phenyl-κ2N,C1](2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline-κ2N,N')iridium(III) hexa­fluorido­phosphate methanol monosolvate

The title compound, [Ir(C15H10N)2(C19H12N4)]PF6·CH3OH, crystallizes in the C2/c space group with one monocationic iridium complex, one hexa­fluorido­phosphate anion, and one methanol solvent mol­ecule of crystallization in the asymmetric unit, all in general positions. The anion and solvent are linked to the iridium complex cation via hydrogen bonding. All bond lengths and angles fall into expected ranges compared to similar compounds.




y

(E)-1-(3,4-Di­meth­oxy­phen­yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one

In the title compound, C26H22N2O3, the dihedral angle between the benzene and pyrazole rings of the chalcone unit is 88.3 (1)°. The pyrazole ring has two attached phenyl rings that form dihedral angles with the pyrazole ring of 22.6 (2) and 40.0 (1)°. In the crystal, pairwise C—H⋯O hydrogen bonds generate R22(20) inversion dimers.




y

Redetermined structure of methyl 3-{4,4-di­fluoro-2-[2-(methoxy­car­bon­yl)­ethyl]-1,3,5,7-tetra­methyl-4-bora-3a,4a-di­aza-s-in­da­cen-6-yl}pro­pion­ate

In the title compound, C21H27BF2N2O4, a highly fluorescent boron–dipyrromethene dye, the methyl­propionate moieties have different conformations. In the crystal, weak C—H⋯F and C—H⋯O inter­actions link the mol­ecules. Some optical properties are presented.




y

(1R,2S,4aR,6S,8R,8aS)-1-(3-Hy­droxy­propano­yl)-1,3,6,8-tetra­methyl-1,2,4a,5,6,7,8,8a-octa­hydronaphthalene-2-carb­oxy­lic acid

The mol­ecular structure of C18H28O4, (+)-diplodiatoxin, is described, whereby the absolute configuration of the structure of diplodiatoxin has been confirmed by single-crystal X-ray diffraction. Diplodiatoxin crystallizes in the chiral P43212 space group with one mol­ecule in the asymmetric unit.




y

C-type Yb2Te3O9

The title compound, diytterbium enneaoxidotritellurate(IV), was obtained in its C-type crystal structure from the binary oxides at 1073 K using a CsCl flux. It crystallizes isotypically with C-type Tm2Te3O9 and Lu2Te3O9, closing this gap of knowledge.




y

Δ-Bis[(S)-2-(4-isopropyl-4,5-di­hydro­oxazol-2-yl)phenolato-κ2N,O1](1,10-phenanthroline-κ2N,N')ruthenium(III) hexa­fluorido­phosphate

The title compound, [Ru(C12H14NO2)2(C12H8N2)]PF6 crystallizes in the tetra­gonal Sohnke space group P41212. The two bidentate chiral salicyloxazoline ligands and the phenanthroline co-ligand coordinate to the central RuIII atom through N,O and N,N atom pairs to form bite angles of 89.76 (15) and 79.0 (2)°, respectively. The octa­hedral coordination of the bidentate ligands leads to a propeller-like shape, which induces metal-centered chirality onto the complex, with a right-handed (Δ) absolute configuration [the Flack parameter value is −0.003 (14)]. Both the complex cation and the disordered PF6− counter-anion are located on twofold rotation axes. Apart from Coulombic forces, the crystal cohesion is ensured by non-classical C—H⋯O and C—H⋯F inter­actions.




y

Di-μ-adipato-κ4O1,O1':O6,O6'-bis­[(2,2'-di­pyridyl­amine-κ2N,N')zinc(II)] trihydrate

The title compound, [Zn2(C6H8O4)2(C10H9N3)2]·3H2O or {Zn2[(C5H4N)2NH]2[μ-(CH2)4(COO)2]2}·3H2O, was separ­ated from the solvothermal reaction of zinc(II) sulfate hepta­hydrate, 2,2'-di­pyridyl­amine and sodium adipate. The dinuclear metal complex has a centrosymmetric structure, with the ZnII atom adopting a highly distorted octa­hedral coordination sphere composed of four oxygen atoms from bridging adipato ligands and two pyridine nitro­gen atoms. In the crystal, the title compound aggregates into a tri-periodic supra­molecular structure through inter­molecular hydrogen-bonding networks of the form O—H⋯O and N—H⋯O.




y

1,4-Di­methyl­piperazine-2,3-dione

In the title compound, C6H10N2O2, the piperazine-2,3-dione ring adopts a half-chair conformation. In the crystal, the mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming (010) sheets.




y

[(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-iso­butyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate di­chloro­methane hemisolvate

A new triazole-based N-heterocyclic carbene IrI cationic complex with a tetra­fluorido­borate counter-anion and hemi-solvating di­chloro­methane, [Ir(C8H12)(C8H15N3)(C18H15P)]BF4·0.5CH2Cl2, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit and one di­chloro­methane solvent mol­ecule per two ion pairs. The cationic complex exhibits a distorted square-planar conformation around the IrI atom, formed by a bidentate cyclo­octa-1,5,diene (COD) ligand, a tri­phenyl­phosphane ligand, and an N-heterocyclic carbene (NHC). There are several close non-standard H⋯F hydrogen-bonding inter­actions that orient the tetra­fluorido­borate anions with respect to the IrI complex mol­ecules. The complex shows promising catalytic activity in transfer hydrogenation reactions. The structure was refined as a non-merohedral twin, and one of the COD mol­ecules is statistically disordered.




y

4-Bromo-N,N'-di­phenyl­benzimidamide N'-oxide

The title compound, C19H15BrN2O, crystallizes with two similar mol­ecules in the asymmetric unit. The extended structure features dimers linked by pairs of N—H⋯O and C—H⋯O hydrogen bonds. The HNCNO moiety of the title compound shows delocalization over the N—C—N part, as evidenced by the similar C—N bond distances.




y

Methyl 2-[(Z)-5-methyl-2-oxoindolin-3-yl­idene]hydrazinecarbodi­thio­ate

The title di­thio­carbazate imine, C11H11N3OS2, was obtained from the condensation reaction of S-methyl­dithio­carbazate (SMDTC) and 5-methyl­isatin. It shows a Z configuration about the imine C=N bond, which is associated with an intra­molecular N—H⋯O hydrogen bond that closes an S(6) ring. In the crystal, inversion dimers linked by pairwise N—H⋯O hydrogen bonds generate R22(8) loops. The extended structure features C—H⋯S contacts as well as reciprocal carbon­yl–carbonyl (C=O⋯C=O) inter­actions.




y

(Z)-N-(2,6-Diiso­propyl­phen­yl)-1-[(2-meth­oxyphen­yl)amino]­methanimine oxide

The mol­ecular structure of the title compound, C20H26N2O2 reveals non-co-planarity between the central formamidine backbone and each of the outer meth­oxy- and i-propyl- substituted benzene rings with dihedral angles of 7.88 (15) and 81.17 (15)°, respectively, indicating significant twists in the mol­ecule. In the crystal, inter­molecular C—H⋯O inter­actions, forming an R34(30) graph set, occur within a two-dimensional layer that extends along the ac plane.




y

(Z)-N-(2,6-Di­methyl­phen­yl)-1-[(2-meth­oxy­phen­yl)amino]­methanimine oxide methanol monosolvate

In the title solvate, C16H18N2O2·CH4O, the dihedral angles between the formamidine backbone and the pendant 2-meth­oxy­phenyl and 2,6-di­methyl­phenyl groups are 14.84 (11) and 81.61 (12)°, respectively. In the crystal, the components are linked by C—H⋯O, O—H⋯O and C—H⋯ π hydrogen bonds, generating a supra­molecular chain that extends along the crystallographic a-axis direction.




y

(1H-Benzo­diazol-2-ylmeth­yl)di­ethyl­amine

In the crystal of the title compound, C12H17N3, the mol­ecules are linked by N—H⋯N hydrogen bonds, generating a C(4) chain extending along the c-axis direction. One of the ethyl groups is disordered over two sets of sites with a refined occupancy ratio of 0.582 (15):0.418 (15).




y

2-Chloro-N-(4-hy­droxy­phen­yl)acetamide

The title compound, C8H8ClNO2, is significantly distorted from planarity, with a twist angle between the planes through the hy­droxy­benzene and acetamide groups being 23.5 (2)°. This conformation is supported by intra­molecular C—H⋯O and N—H⋯Cl contacts. In the crystal, N—H⋯O hydrogen-bonding contacts between acetamide groups and O—H⋯O contacts between hydroxyl groups form tapes propagating parallel to [103].