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Correction: Two-dimensional porous nickel oxalate thin sheets constructed by ultrathin nanosheets as electrode materials for high-performance aqueous supercapacitors

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE90057E, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Chenglan Zhao, Yuqian Jiang, Shunfei Liang, Fang Gao, Li Xie, Lingyun Chen
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A novel synthesis of YVO4:Ln3+ (Ln = Eu, Sm, and Dy) porous/hollow submicro-ellipsoids and their luminescence properties

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00526F, Paper
Shuang Zhao, Baiqi Shao, Yang Feng, Senwen Yuan, Langping Dong, Liang Zhang, Hongpeng You
A novel synthesis strategy of porous/hollow YVO4 submicro-ellipsoids with multicolor emissions has been developed based on the high structural matching of LYH and YVO4.
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Graphene-based SiC nanowires with nanosheets: synthesis, growth mechanism and photoluminescence properties

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00297F, Paper
Zhihui Hu, Zhi Chen, Juntong Huang, Mingge Yan, Meng Zhang, Lei Zhang, Xibao Li, Zhijun Feng
3C-SiC nanowires with nanosheets were synthesized via a direct reaction of Si vapor (from solid silicon) and SiO vapor (from silicon and silicon dioxide) with graphene nanosheets at 1500 °C without any additional metal catalyst.
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A digital workflow from crystallographic structure to single crystal particle attributes for predicting the formulation properties of terbutaline sulfate

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00026D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Thai T. H. Nguyen, Robert B. Hammond, Ioanna D. Styliari, Darragh Murnane, Kevin J. Roberts
A detailed inter-molecular (synthonic) analysis of terbutaline sulfate, an ionic addition salt for inhalation drug formulation, is related to its crystal morphology, the surface chemistry of the habit faces and hence to its crystal surface energy.
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Self-assembled natLiCl–CeCl3 directionally solidified eutectics for thermal neutron detection

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/C9CE01884K, Communication
Shuangliang Cheng, Rachel E. Hunneke, Mengkun Tian, Eric Lukosi, Mariya Zhuravleva, Charles L. Melcher, Yuntao Wu
We developed novel LiCl–CeCl3 eutectic scintillators that are capable of detecting thermal neutrons.
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Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00084A, Paper
Yang Wang, Mengjia Luo, pei Zhao, Xiangli Che, Yunzhen Cao, Fu Qiang Huang
A new mid-infrared nonlinear optical oxyselenide, Sr4Pb1.5Sb5O5Se8, was successfully synthesized by traditional solid-state reaction. It crystallizes in the noncentrosymmetric space group Cm (No. 8) of the monoclinic system. The crystal...
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The effect of deuteration-levels in solution and temperature on the segregation coefficient of deuterium content in rapid-grown K(DxH1-x)2PO4 crystals using Raman spectroscopy

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00386G, Paper
Jinxin Huang, Zongqi Wang, Bing Teng, Hong Liu, Xixi Zheng, Shaohua Ji
A series of K(DxH1-x)2PO4 (DKDP) crystals with different saturating temperature and deuteration levels were grown by point-seed rapid growth method. The correlation between deuterium segregation coefficient and temperature and deuterium...
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Polymorph induced diversity of photomechanical motions of molecular crystals

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00311E, Paper
Lei Gao, Yunhui Hao, Xiunan Zhang, Xin Huang, Ting Wang, Hongxun Hao
Photomechanical motions of the polymorphs of trans-4,4'-azopyridine are distinct under the influence of different molecular packing and intermolecular interactions.
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First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00644K, Communication
Kazuyuki Maeda, Kentaro Wakui, Kyosuke Arakawa, Atsushi Kondo
Topotactic pillaring of lamellar aluminophosphate (ALPO) layers with zinc cations is used to prepare microporous zincoaluminophosphate (ZnAPO) with AFY-type framework for the first time. This approach should be promising for...
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Diminishing accessibility of electrophilic nickel(II) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(II)/sodium complexes: a DFT study using a homodesmotic equation

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CrystEngComm, 2020, 22,2970-2977
DOI: 10.1039/D0CE00251H, Paper
Prasanata Kumar Bhaumik, Abhisek Banerjee, Tamal Dutta, Sudipta Chatterjee, Antonio Frontera, Shouvik Chattopadhyay
The ethoxy groups have a dual effect in hindering the attack of the pseudo-halides on the nickel(II) centre and also in stabilizing the complex by intra-molecular interactions.
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Effect of dilution in a hydrothermal process and post-synthetic annealing on the tailoring of hierarchical ZnO nanostructures

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CrystEngComm, 2020, 22,3059-3069
DOI: 10.1039/D0CE00310G, Paper
Smriti Thakur, Sanjay K. Mandal
Morphology transformation and dimensionality change as a result of dilution and post-synthetic annealing are reported.
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Cocrystals/salt of 1-naphthaleneacetic acid and utilizing Hirshfeld surface calculations for acid–aminopyrimidine synthons

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CrystEngComm, 2020, 22,2978-2989
DOI: 10.1039/D0CE00106F, Paper
Utsav Garg, Yasser Azim, Aranya Kar, Chullikkattil P. Pradeep
Revisit of acid–aminopyrimidine synthons to explore the robustness in presence of linear hetrotetramer and heterotrimer synthon.
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Flange union at nanoscale: fabrication and formation mechanism

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CrystEngComm, 2020, 22,2914-2918
DOI: 10.1039/D0CE00244E, Paper
Shengliang Zhong, Honghong Zou, Yanhua Ji, Chenghui Zeng, Lei Wang, Yanhong Chen, Hualan Xu
Coordination polymer superstructures connected by a flange union with a good geometry were fabricated. Assembly, disassembly and reassembly process happened during the formation.
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Effect of particle size and morphology on the performance of BiFeO3–PDMS piezoelectric generators

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CrystEngComm, 2020, 22,2919-2925
DOI: 10.1039/D0CE00067A, Paper
Kohei Yoshiyama, Masae Mori, Manabu Hagiwara, Shinobu Fujihara
The effect of the size and morphology of piezoelectric BiFeO3 particles on the performance of BiFeO3–PDMS composite generators is revealed.
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Influence of lamellar thickness on the transformation of isotactic polybutylene-1/carbon nanotube nanocomposites

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CrystEngComm, 2020, 22,2990-2997
DOI: 10.1039/D0CE00112K, Paper
Yan-Kai Li, Yu-Ge Wang, Cui-Liu Fu, You-Liang Zhu, Zhan-Wei Li, Zhao-Yan Sun
The crystallization transformation from form II to form I in PB-1/CNT materials is mainly influenced by the lamellar thickness.
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Two-dimensional porous nickel oxalate thin sheets constructed by ultrathin nanosheets as electrode materials for high-performance aqueous supercapacitors

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CrystEngComm, 2020, 22,2953-2963
DOI: 10.1039/D0CE00268B, Paper
Chenglan Zhao, Yuqian Jiang, Shunfei Liang, Fang Gao, Li Xie, Lingyun Chen
2D porous nickel oxalate thin sheets constructed by ultrathin nanosheets were first synthesized by using a simple hydrothermal method. The resulting porous thin sheets exhibited superior supercapacitor performance.
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Nanosheet-assembled carbonated hydroxyapatite microspheres prepared by an EDTA-assisted hydrothermal homogeneous precipitation route

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CrystEngComm, 2020, 22,2884-2888
DOI: 10.1039/D0CE00305K, Communication
Mei-li Qi, Shengkun Yao, Xiao-Cun Liu, Xiaoning Wang, Fengkun Cui
Well-defined carbonated hydroxyapatite microspheres assembled from nanosheets were synthesized by a Na2EDTA-assisted hydrothermal homogeneous precipitation route.
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Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology

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CrystEngComm, 2020, 22,2933-2944
DOI: 10.1039/D0CE00275E, Paper
Anna Goldman, Beatriz Gil-Hernández, Simon Millan, Serkan Gökpinar, Christian Heering, Ishtvan Boldog, Christoph Janiak
The prototypal [M2(EtBCP)2(DABCO)0.5] MOFs, compliant with isoreticular expansion in two-dimensions, show flexibility manifested by a two-step CO2 adsorption isotherm, which might be associated to the “lever-action” of the metal-phosphonate moieties.
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Step-by-step: uncommon SCSC transformation accompanied by stepwise change in the binding of a particular ligand within a mononuclear complex upon stepwise desolvation

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CrystEngComm, 2020, 22,2895-2899
DOI: 10.1039/D0CE00379D, Communication
Andrey V. Gavrikov, Andrey B. Ilyukhin, Pavel S. Koroteev
Uncommon SCSC transformation when desolvation induces subtle changes within a mononuclear complex, namely a stepwise change in the binding of a particular ligand.
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Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations

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CrystEngComm, 2020, 22,2889-2894
DOI: 10.1039/D0CE00397B, Communication
Open Access
Peng Yang, Buthainah Alshankiti, Niveen M. Khashab
Intrinsically porous molecular building blocks are used for the rational design and construction of molecular-level controlled porous materials.
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Targeted crystal growth of uranium gallophosphates via the systematic exploration of the UF4–GaPO4–ACl (A = Cs, Rb) phase space

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CrystEngComm, 2020, 22,3020-3032
DOI: 10.1039/D0CE00343C, Paper
Christian A. Juillerat, Vladislav V. Klepov, Mark D. Smith, Hans-Conrad zur Loye
The flux synthesis of a uranium gallophosphate and a uranium gallate, Cs4[UO2Ga2(PO4)4] and Cs2UO2Ga2O5, and 4 uranium phosphates, [Rb2Rb3.93Cl0.93][(UO2)5(PO4)5], Rb11[(UO2)8(PO4)9], Rb7.6[(UO2)8O8.6F0.4(PO4)2], and Rb6[(UO2)5O2(PO4)4], is reported.
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Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3',4,4'-tetracarboxylic diimide units

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CrystEngComm, 2020, 22,2964-2969
DOI: 10.1039/D0CE00221F, Paper
Masahide Tominaga, Kosuke Mizuno, Haruka Yamamoto, Tadashi Hyodo, Kentaro Yamaguchi
Crystallization of a diimide-based macrocycle having adamantane parts and several cyclic ethers in chloroform provided inclusion crystals, where both guests were cooperatively accommodated within inner spaces between the macrocycles.
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The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d–4f heterometallic compounds

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CrystEngComm, 2020, 22,2998-3004
DOI: 10.1039/D0CE00039F, Paper
Ruirui Wang, Haili Wang, Juan Wang, Feifei Bai, Yue Ma, Licun Li, Qinglun Wang, Bin Zhao, Peng Cheng
For the isomorphic tetranuclear 3d–4f compounds constructed by [M(CN)6]3− linking LnIII-Schiff-base units, the diamagnetic CoIII ions in the system could suppress QTM effectively and obtain a field-induced SMMs behavior.
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A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(II) complexes and their strong fluorescence behaviors

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CrystEngComm, 2020, 22,3005-3019
DOI: 10.1039/D0CE00125B, Paper
Ipsita Mondal, Tanmoy Basak, Snehasis Banerjee, Shouvik Chattopadhyay
A reduced Schiff base used as a fluorescence chemo-sensor for selective detection of zinc(II). Strong fluorescence behaviors of two zinc(II) complexes are correlated with the presence of a rigid hydrogen-bonded network in their solid state structure.
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Lanthanide doped bismuth-based fluoride nanoparticles: controlled synthesis and ratiometric temperature sensing

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00435A, Paper
Pengpeng Lei, Ran An, Chengyu Li, Jing Feng, Hongjie Zhang
Bismuth-based nanoparticles, especially NaBiF4, have attracted extensive attention as hosts of lanthanides (Ln3+) ions and other luminescent ions in recent years. However, controllable synthesis of NaBiF4 nanoparticles remains a challenge....
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Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine – 3- methylsalicylic acid co-crystal

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00498G, Paper
Dipali Ahuja, Michael Svärd, Matteo Lusi, Ake Rasmuson
A new 1:1 co-crystal of sulfamethazine (API, SMT) and 3-methylsalicylic acid (coformer, 3mSA) has been synthesized and its crystal structure solved by single crystal X-ray diffraction (XRD). The co-crystal has...
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3C–, 4H–, and 6H–SiC crystal habitus and interfacial behaviours in high temperature Si-based solvents

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00521E, Paper
Taka Narumi, Didier Chaussende, Takashi Yoshikawa
Solution growth of SiC is a promising process for producing high-quality SiC crystals; however, control over the morphology of the growth interface under rapid growth conditions is a critical issue....
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The impact of positional isomerism on electronic and photochromic properties of 1D zinc-based naphthalene diimide coordination polymers

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00025F, Paper
Pengfei Hao, Huihui Zhu, Yue Pang, Junju Shen, Yunlong Fu
The positional isomeric DPNDI ligands can effectively modulate the interfacial contacts of electron donors/acceptors and the efficiency of electronic/photochromic properties.
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Mining the Cambridge Database for theoretical chemistry. Mi-LJC: a new set of Lennard-Jones–Coulomb atom–atom potentials for the computer simulation of organic condensed matter

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00334D, Paper
Angelo Gavezzotti, Leonardo Lo Presti, Silvia Rizzato
A novel, universal Lennard-Jones–Coulomb (LJC) atom–atom force field parametrization reproduces the experimental sublimation enthalpies of 377 molecular crystals drawn from the CSD.
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Microstructure characteristics of non-monodisperse quantum dots: On the potential of transmission electron microscopy combined with X-ray diffraction

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00312C, Paper
Stefan Neumann, Cristina Menter, Ahmed Salaheldin Mahmoud, Doris Segets, David Rafaja
Although the concept of quantum confinement was introduced more than thirty years ago, a wide application of the quantum dots is still limited by the fact that monodisperse quantum dots...
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Biological activity tuning of antibacterial urotropine via co-crystallization: synthesis, biological activity evaluation and computational insight

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00226G, Paper
Nida Tabassum, Panayiotis C. Varras, Fiza Arshad, Muhammad I. Choudhary, Sammer Yousuf
Urotropine (1) is a synthetic heterocyclic antibacterial agent.
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Open metal site (OMS) and Lewis basic site (LBS)-functionalized copper–organic framework with high CO2 uptake performance and highly selective CO2/N2 and CO2/CH4 separation

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/C9CE02005E, Paper
Cheng He, Chao Hou, Yu Min Wang, Xue Yong Gong, Hong Li Jiang, Yong Bin Sun, Kun Liu, Xiao Qun Cao
A robust porous metal–organic framework with dual functionalities of open metal sites (OMSs) and O-rich Lewis basic sites (LBSs) has been designed and synthesized, and shows high CO2 uptake and excellent selectivity for CO2 over N2 and CH4.
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Co3O4/MnCO3 heterojunction on three-dimensional nickel foam for enhanced oxygen evolution reaction

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00325E, Paper
Guijin Yang, Botao Zhu, Daqiang Gao, Yujun Fu, Jing Zhao, Jinyun Li
For water electrolysis and metal-air batteries, rational design and preparation of highly efficient and environmentally friendly catalysts for oxygen evolution reactions (OER) is urgently required. Here, abundant Co3O4/MnCO3 heterointerfaces supported...
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Chirality and Stereoisomerism of Organic Multicomponent Crystals in the CSD

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00403K, Paper
Open Access
Eline Grothe, hugo meekes, Rene de Gelder
With the current interest in multicomponent crystals containing chiral residues, a wide variety of studies could benefit from a comprehensive inventory of chirality in multicomponent crystals. We combined computational approaches...
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N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00495B, Paper
John D. Wallis, Alun Christopher Garner, Songjie Yang
Methyl 2,6-diaminobenzoate and its bis-triphenylboron complex show hydrogen bonding from NH2 groups to both oxygen atoms of the carboxylic ester, and there is little difference in the lengths of these...
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Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00136H, Paper
Guoshun Zhang, xiaoqing shang, wei han, lifeng zhang, guolian ren, Shuqiu Zhang
As a quinazolinocarboline alkaloid, dehydroevodiamine (DHED) derived from Evodia rutaecarpa has recently gained attention because it improves memory failure in Alzheimer's mice. However, its solid forms, which have not yet...
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Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00474J, Communication
Gonzalo Campillo-Alvarado, Elizabeth Keene, Dale C. Swenson, Len R MacGillivray
We report supramolecular repurposing of Emtricitabine (FTC, trade name: Emtriva®), a blockbuster FDA-approved anti-HIV agent. FTC is revealed to act as a hydrogen-bonded cleft for bipyridine recognition. The supramolecular repurposing...
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Pseudosymmetric layers in high-Z' and P1 structures of organic molecules

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00302F, Paper
Carolyn Pratt Brock
Layers having obvious approximate symmetry higher than that of the overall 3-D crystal are present in 20–25% of the Z' > 4 and P1 organic structures archived in the Cambridge Structural Database. In some structures different types of layers alternate.
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Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00408A, Paper
Open Access
Alice M Bumstead, María Laura Ríos Gómez, Michael Francis Thorne, Adam F. Sapnik, Louis Longley, Joshua Mark Tuffnell, Dean S Keeble, David A. Keen, Thomas Douglas Bennett
Recently, there has been growing interest in the amorphous states of metal–organic frameworks (MOFs). Particular focus has been given to melt-quenched MOF glasses. In this work, to improve our understanding...
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Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00475H, Paper
Zhenzhen Jiang, Ping Zhou, Tingting Xu, Lihui Fan, Simin Hu, Jingxian Chen, Yabing He
A pair of Co-based MOFs exhibited inorganic acid-driven structural diversities, and one of them displayed the C2H2 separation and purification potential.
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Strong stacking interactions at large horizontal displacements of tropylium and cyclooctatetraenide ligands of transition metal complexes: crystallographic and DFT study

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00501K, Paper
Dusan P Malenov, Snezana D Zaric
Cambrigde Structural Database search was performed in order to study stacking interactions of 7-membered tropylium ring and 8-membered cyclooctatetraenide (COT) ring, coordinated to transition metals via their π-electrons. The search...
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Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00423E, Paper
Abraham Colin-Molina, Diego Velazquez-Chavez, Marcus Jellen, Lizbeth A. Rodríguez-Cortés, Miguel Eduardo Cifuentes Quintal, Gabriel Merino, Braulio Rodríguez-Molina
Two new compounds 2 and 3 and their deuterated analogues 2-d4 and 3-d4 have been prepared from Ullmann-type coupling reactions. Both showed good emissive properties in solution ΦF = 0.13...
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Facile One–pot Solvothermal Synthesis of CdTe Nanorods and Their Photoelectrical Properties

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00459F, Communication
Binnian Zhong, Weifeng Kang, Zhiwei Zhang, Linhui Zhang, Bin Ma
Uniform CdTe NRs were synthesized by a one-pot PVP-assisted solvothermal process under mild conditions. By adjusting the amounts of the surfactant, reducing agent and the reaction temperature, CdTe NRs with...
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Unraveling atomic-scale crystallization and microstructural evolution of selective laser melted FeCrNi medium-entropy alloy

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00358A, Paper
Haotian Chen, Qihong Fang, Kun Zhou, Y. Liu, Jia Li
Selective laser melting (SLM) provides a flexibility to manufacture the components with complex structures. However, the unexpected crystallization and the dynamical microstructural evolution at atomic scale still remains unknown during...
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Global economic outlook worsened since forecast in April, says IMF

By www.thehindubusinessline.com
Published On :: Fri, 08 May 2020 09:15:00 +0530

The International Monetary Fund said that the global economic outlook has worsened since its latest forecast three weeks ago and the world can expect


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A Malayalam song from Italy to beat the pandemic

By www.thehindu.com
Published On :: Sat, 09 May 2020 14:56:28 +0530

As Italians sing on their balconies to keep their morale high, this priest renders 'Aayiram Kannumayi' from the 1984 film 'Nokketha Doorathu Kannum Nattu'


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Police register case against migrant workers

By www.thehindu.com
Published On :: Fri, 08 May 2020 22:31:25 +0530

The police registered a case on Friday against 13 migrant workers for blocking a road at Ramanthali, near Payyannur, on Thursday evening seeking to re


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Health experts sceptical about ‘dilution’ of quarantine period

By www.thehindu.com
Published On :: Fri, 08 May 2020 23:41:12 +0530

They attribute Kerala’s success till date to 28-day quarantine


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Organic vegetable project for expatriates

By www.thehindu.com
Published On :: Fri, 08 May 2020 22:51:15 +0530

Kanjikuzhy panchayat to distribute 10 lakh vegetable saplings on May 20


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Study Abroad: File a winning application

By www.rediff.com
Published On ::

The GMAT is not the 'be all, end all' of an application.


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