CrystEngComm
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#1Xiuli Guo (JLU: Jilin University)H-Index: 4
#2Zhenhua Li (JLU: Jilin University)H-Index: 1
Last. Shouhua Feng (JLU: Jilin University)H-Index: 61
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Coordination polymers have received immense attention for proton conduction owing to their highly tunable and designable structures. Herein, based on the flexible ligand 5-(4-pyridine)-methoxyisophthalic acid (H2L), two novel highly chemically stable indium coordination polymers (In-CPs), InL(H2O)Cl·H2O (In–L–Cl) and InL(H2O)(NO3) (In–L–NO3), were synthesized through solvothermal methods. In–L–Cl and In–L–NO3 are isostructural, in which every individual In(III) atom connects to L2− to form a sin...
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#1Jing Zhang (HAU: Huazhong Agricultural University)H-Index: 3
#2Wenjun Zhang (HAU: Huazhong Agricultural University)H-Index: 11
Last. Lijun Wang (HAU: Huazhong Agricultural University)H-Index: 68
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As one of the most ubiquitous biominerals, calcium oxalate (CaOx) exhibits different hydrate phases. Although the monohydrate (whewellite, COM) is the thermodynamically favorable phase at ambient temperatures, the metastable dihydrate (weddellite, COD) can still stably exist in pathological mineralization but the stabilization mechanisms remain unclear. Herein, the in situ phase transformation of nano-sized COD to COM in the presence of citrate (CA) and zinc ions (Zn2+) as stabilizers was observ...
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#1Alexander P. Voronin (RAS: Russian Academy of Sciences)H-Index: 14
#2Nikita A. Vasilev (RAS: Russian Academy of Sciences)H-Index: 4
Last. German L. Perlovich (RAS: Russian Academy of Sciences)H-Index: 30
view all 5 authors...
Isavuconazole (ISV) is a systemic antifungal agent which is used to treat invasive aspergillosis, mucormicosis and candidiasis. Although both oral and intravenous dosage forms of this drug exist on the market, the crystal structure and physicochemical properties of ISV as well as possible alternative solid forms are yet unexplored in the literature. In the present work, the solid form landscape of isavuconazole including solvate, polymorph and salt screening was studied systematically. The solid...
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#1Yu-Qiao Su (North China University of Science and Technology)
#2Ruo-Tong Wang (North China University of Science and Technology)
Last. Guang-Hua Cui (North China University of Science and Technology)H-Index: 30
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Selective detection of antibiotics and MnO4− is crucial for human health improvement and protecting the environment. Two stable Zn(II)-based metal–organic frameworks (MOFs) {[Zn6(L1)2(NDC)5(μ2-OH)2]·0.5H2O}n (1), and {[Zn(L2)(NDC)]·2H2O}n (2) (H2NDC = 1,4-naphthalenedicarboxylic acid, L1 = 1,5-bis(1-(pyridine-4-ylmethyl)-1H-benzo[d]imidazol-2-yl)pentane, L2 = 1,6-bis(1-(pyridine-4-ylmethyl)-1H-benzo[d]imidazol-2-yl)hexane) were successfully synthesized by adopting the mixed ligands approach. 1 i...
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The promising prospects arising out of the phase transitions of materials at shocked conditions is an emerging field at the frontier of structural science. In this communication, dynamic shock wave induced phase transition from crystalline to the amorphous state of lead nitrate crystal is reported and the declaration is based on the results procured from diffraction, spectroscopic and microscopic techniques.
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#1A.A. Rybakov (MSU: Moscow State University)H-Index: 7
Last. Alexander V. Larin (MSU: Moscow State University)H-Index: 13
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A simplified computational scheme for “deposition” of a metallic (Pd) monolayer on semi-ionic supports is considered. An arbitrary selection of the initial position of the deposited layer relative to the surface of the support cannot provide the best solution for an optimal atom–atom binding. The energy and/or geometry changes were checked relative to a slide of the mono- and bilayers in parallel to the support layer and re-optimization. Two types of possible consequences are shown at the slide ...
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#1Misaki Okayasu (Toho University)H-Index: 3
#2Shoko Kikkawa (Toho University)H-Index: 11
Last. Isao Azumaya (Toho University)H-Index: 29
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We demonstrated that crystal shape is related to the unit cell shape and that a molecular arrangement can be altered as desired by employing co-crystallization. We investigated the relationship between the crystal shape, unit cell parameters, and intermolecular interactions using 131 crystals of secondary aromatic sulfonamides. The crystal shape was evaluated based on the unit cell length ratio (M/S, L/S) (L, M, S = the longest, mid-length, and shortest cell lengths, respectively), and was consi...
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#1Megha Basak (IITG: Indian Institute of Technology Guwahati)
#2Asesh Das (IITG: Indian Institute of Technology Guwahati)H-Index: 2
Last. Gopal Das (IITG: Indian Institute of Technology Guwahati)H-Index: 39
view all 3 authors...
Numerous approaches to receptor fabrication have been introduced for supramolecular anion recognition, not only for academic purposes but also for their substantial application in environmental and biological fields. We highlight halide (X = Cl−/Br−) coordination-triggered self-assembly formation using two dipodal receptors, L1 and L2. This approach involves several non-covalent interactions, such as N–Hurea⋯X, C–Hphenyl⋯X, and C–Hn-TBA⋯X. Structural aspects of the anion-coordinated supramolecul...
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#1Jun Ying (Bohai University)H-Index: 16
#2Liang Jin (Bohai University)
Last. Xiu-Li Wang (Bohai University)H-Index: 50
view all 5 authors...
By changing the transition metals (TMs) and polyanions, six polyoxometalate (POM)-based complexes 1–6 were synthesized by the hydrothermal method, namely [CdII(L1)2(HPMo12O40)]·2H2O (1), {MII2(H2O)4(L1)2[H2(β-Mo8O26)]}n·xH2O (n = 1, x = 1, M = Co (2), Cu (3), Fe (4); n = 0.5, x = 0, M = Ni (5), Zn (6)). The organic component 3,5-bis-(2,5-dihydro-imidazole-1-yl)benzoic acid (L1) is a tripodal ligand containing two imidazole and one carboxylic acid group. The N donors in the imidazole groups and t...
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#2V. P. ZelenovH-Index: 10
Last. Tatyana S. PivinaH-Index: 15
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Using the methods of quantum chemistry and Atom-Atom potentials, the structure of benzotrifuroxan (BTF) cocrystals with nitrobenzenes (nitrobenzene, 1,2-, 1,3-, 1,4-dinitrobenzenes, 1,3,5-trinitrobenzene, hexanitrobenzene) with different ratios components (1:1, 1:2, 1:3 and in reverse order) is modeled. Based on the estimation of the energy of cocrystallization, a prediction was made of the possibility to obtain of cocrystals, some of which were got and investigated by the single-crystal XRD. Fo...
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