New hydrated phases of potassium orthovanadate: K3(VO4)(H2O)0.56 and K3(VO4)(H2O)4 [0.03%]
钾正钒酸盐的新水合相：K3(VO4)(H2O)0.56和K3(VO4)(H2O)4
Tobias Wolflehner,Matthias Weil
Tobias Wolflehner
Single crystals of the hydrated potassium orthovanadate phases K3(VO4)·0.56H2O, tripotassium orthovanadate 0.56-hydrate, and K3(VO4)·4H2O, tripotassium orthovanadate tetra-hydrate, were isolated during the processing of products obtained ...
Crystal structure, Hirshfeld surface and energy framework analysis of bis-{3-(benzo-furan-6-yl)-5-[6-(1 H-pyrazol-1-yl)pyridin-2-yl]-1 H-1,2,4-triazol-1-ido}iron(II) methanol disolvate [0.03%]
双[{3-(苯并呋喃-6-基)-5-[6-(1H-吡唑-1-基)吡啶-2-基]-1H-1,2,4-三氮唑}铁(II)]甲醇溶剂化物的晶体结构、Hirshfeld面及能量框架分析
Illia Terpeliuk,Kateryna Znovjyak,Sergiu Shova et al.
Illia Terpeliuk et al.
The title compound, [Fe(C18H11N6O)2]·2CH3OH, crystallizes in the ortho-rhom-bic space group Pbcn (No. 60) with half of the complex mol-ecule and a methanol mol-ecule in the asymmetric unit. In the complex, the two tridentate 3-(benzo-furan...
Syntheses and structures of spontaneously resolved (2 S)-2-phenyl-3-(thia-zol-2-yl)-2,3,5,6-tetra-hydro-4 H-1,3-thia-zin-4-one and racemic 2-(furan-2-yl)-3-phenyl-2,3,5,6-tetra-hydro-4 H-1,3-thia-zin-4-one [0.03%]
(2S)-2-苯基-3-(噻唑-2-基)-2,3,5,6-四氢-4H-1,3-噻嗪-4(5H)-酮和外消旋体2-(呋喃-2-基)-3-苯基-2,3,5,6-四氢-4H-1,3-噻嗪-4(5H)-酮的合成与结构
Hemant P Yennawar,Tapas K Mal,Mark A Olsen et al.
Hemant P Yennawar et al.
The title compounds, one a thia-zole derivative: (2S)-2-phenyl-3-(thia-zol-2-yl)-2,3,5,6-tetra-hydro-4H-1,3-thia-zin-4-one, C13H12N2OS2, and the second a furan derivative: (rac)-2-(furan-2-yl)-3-phenyl-2,3,5,6-tetra-hydro-4H-1,3-thia-zin-4-...
From crystal structure to 3D printing to virtual reality in the classroom [0.03%]
从晶体结构到3D打印再到教室里的虚拟现实技术
Dilek K Dogutan,Meghan G Sullivan,Christina Wolfskill
Dilek K Dogutan
We introduce a pedagogical approach to teaching structural chemistry in which students at all academic levels obtain .cif files from readily accessible crystal structure databases, print the corresponding structures using a 3D printer, and ...
Different packing motifs mediated by hydrogen bonds in the hydro-chloride salts of two pyridoxal N-acyl-hydrazone derivatives [0.03%]
两类吡哆醛-N-杂氢胺衍生物的盐酸盐中由氢键介导的不同堆积模式
Thais C M Nogueira,Marcus V N deSouza,James L Wardell et al.
Thais C M Nogueira et al.
The crystal structures of two hydro-chloride salts of pyridoxal-N-acyl-hydrazone-Q (Q = heterocyclic aromatic ring) derivatives, viz. (E)-3-hy-droxy-5-(hy-droxy-meth-yl)-2-methyl-4-{[(pyridin-4-ylformamido)-imino]-meth-yl}pyridin-1-ium chlo...
Crystal structure and Hirshfeld surface analysis of an etoxazole metabolite designated R4 [0.03%]
指定的R4代名化合物的乙氧挫代谢物的晶体结构和Hirshfeld面分析
Chaluvarangaiah Sowbhagya,Thaluru M Mohan Kumar,Papegowda Bhavya et al.
Chaluvarangaiah Sowbhagya et al.
A metabolite of the insecticide/acaricide etoxazole, designated R4 {systematic name N-[1-(4-tert-butyl-2-eth-oxy-phen-yl)-2-hy-droxy-eth-yl]-2,6-di-fluoro-benz-amide, C21H25F2NO3}, is presented. The mol-ecular structure has a central N-(2-h...
Sven Ringelband,Frank Tambornino
Sven Ringelband
The crystal structure of methyl chloro-formate, C2H3ClO2, was determined by single-crystal X-ray diffraction data at 200 and 100 K. A suitable single crystal was grown in a capillary directly on the goniometer via Ostwald ripening around it...
Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-benzo-thia-zole-κ N 3)aqua-bis-(4-oxopent-2-en-2-olato-κ2 O, O')cobalt(II) [0.03%]
(2-氨基苯并噻唑-κN3)二(4-氧代戊-2-烯-2,1-二醇酸-κ2O,O′)合钴(II)水合物的合成、晶体结构和Hirshfeld面分析
Iroda Tojiboyeva,Sardor Murodov,Lola Makhmudova et al.
Iroda Tojiboyeva et al.
The crystal structure of the title complex, [Co(C5H7O2)2(C7H6N2S)(H2O)], was determined in the triclinic space group P1. The central CoII ion adopts a slightly distorted octa-hedral geometry. The unit cell consists of two complex mol-ecules...
Crystal structure and Hirshfeld surface analysis of N'-[(1 E)-1-(3-oxo-3,4-di-hydro-2 H-1,4-benzoxazin-6-yl)ethyl-idene]benzohydrazide monohydrate [0.03%]
N'-(1E-1-甲基-3-氧代-3,4-二氢-2H-1,4-苯并恶嗪-6-亚基)苯胲单水合物的晶体结构和Hirshfeld面分析
Sekar Janarthanan,Ganesan Meenambigai,Velayutham Mahalakshmi et al.
Sekar Janarthanan et al.
The title compound, C17H15N3O3·H2O, a hydrazone derivative, crystallizes with one mol-ecule of water. The morpholine ring adopts a twist-boat conformation. Inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds are responsible for the co...
Jared T Doney,Philip J Squattrito,Christopher G Gianopoulos
Jared T Doney
An aqueous reaction of barium hydroxide and 3-amino-4-hy-droxy-benzene-sulfonic acid yielded a very small amount of an unexpected product, bis-(2-amino-3-oxo-3H-phenoxazine-8-sulfonato)-tetra-aqua-barium, [Ba(C12H7N2O5S)2(H2O)4], (I). The c...