Synthesis and characterization of celecoxib peroxide: crystal structure, theoretical analysis, thermochemistry and bond dissociation energy [0.03%]
塞来昔布过氧化物的合成与表征：晶体结构、理论分析、热化学及键解离能研究
Yu Heng Ma,Xi Liu,Yu Huan Xie et al.
Yu Heng Ma et al.
Celecoxib peroxide (systematic name: 4-{5-[4-(hydroperoxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzenesulfonamide), C17H14F3N3O4S, a compound identified in destruction experiments and the long-term storage of the active pharmac...
A hexafluoroacetylacetonate-neodymium(III) complex with solvated pyridazine linked by hydrogen bonds [0.03%]
通过氢键连接的六氟富马亚胺钕(III)配位聚合物
Yang Luo,Xiaofen Li,Yueyun Zou et al.
Yang Luo et al.
The neodymium complex triaquatris(hexafluoroacetylacetonato-κ2O,O')neodymium(III) pyridazine trisolvate, [Nd(C5HF6O2)3(H2O)3]·3C4H4N2 or [Nd(hfac)3(H2O)3]·3pdz (hfac is hexafluoroacetylacetonate and pdz is pyridazine), (I), was synthesiz...
Structural and supramolecular interactions of 2-aminothiazolium 3,5-dinitrobenzoate monohydrate [0.03%]
2-氨基噻唑𬭩 3,5-二硝基苯甲酸一水合物的结构及其超分子相互作用
Marimuthu Sangavi,Marimuthu Mohana,Colin D McMillen
Marimuthu Sangavi
The hydrated salt 2-aminothiazolium 3,5-dinitrobenzoate monohydrate, C3H5N3S+·C7H3N2O6-·H2O, was synthesized and its structure characterized with single-crystal X-ray diffraction and Hirshfeld surface analysis. In the crystal structure, p...
Synthesis, structure and blue-light emission of a zero-dimensional zinc halide with the 4-(4-chlorophenyl)pyridinium cation [0.03%]
含4-（4-氯苯基）吡啶阳离子零维蓝色发光锌卤族化合物的合成、结构及发光性能研究
Ting Li,Hong Ru Fu
Ting Li
Exploring blue emission lead-free halides with high photoluminescence quantum yields (PLQYs) is a significant and challenging issue for luminescent materials. Herein, a zero-dimensional (0D) organic-inorganic hybrid halide, namely, bis[4-(4...
Good data with `bad' reflections: the employment of non-spherical scattering factors in the redetermination of the structure of O-ethyl N-phenylcarbamate [0.03%]
含有"不良"衍射峰的良好数据的利用——在重确定O-乙基-N-苯基碳酸亚胺晶体结构中的应用
Peter G Jones
Peter G Jones
The structure of O-ethyl N-phenylthiocarbamate, C9H11NOS (2), has been redetermined, confirming the results obtained in three earlier structure determinations. The higher data quality provided by modern diffractomers has enabled a reliable ...
Supramolecular architectures in the crystal structures of six chromone derivatives: Hirshfeld surface and energy framework analyses [0.03%]
六种香豆素衍生物晶体结构的超分子架构： Hirshfeld表面和能量框架分析
Małgorzata Domagała,Andrzej Łazarenkow,Małgorzata Fabijańska et al.
Małgorzata Domagała et al.
The synthesis and characterization of six novel chromone hydrazide derivatives are described, namely, (E)-2,4-dichloro-N'-[(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide monohydrate, C17H10Cl2N2O3·H2O, (I), (E)-4-chloro-N'-[(4-oxo-4H-ch...
Novel bioactive coumarin derivatives: structural features and predictive bioactivity evaluation [0.03%]
新型香豆素衍生物：结构特征及生物活性预测评价
Adriana Rios-Alegre,Ramón Guzmán-Mejía,Judit Araceli Aviña-Verduzco et al.
Adriana Rios-Alegre et al.
The synthesis and structural characterization of two coumarin derivatives, ethyl 7-(methanesulfonyloxy)-2-oxo-2H-chromene-3-carboxylate, C13H12O7S, Cou01, and ethyl 7-(benzoyloxy)-2-oxo-2H-chromene-3-carboxylate, C19H14O6, Cou02, are report...
Crystal growth of an unusual salt derived from methanesulfonic acid: Rb(CH3SO3)(CH3SO3H) [0.03%]
甲磺酸的一种罕见盐的单晶生长：Rb(CH3SO3)(CH3SO3H)
Eric Gabilondo,P Shiv Halasyamani
Eric Gabilondo
Centimeter-sized crystals of a new rubidium methanesulfonic acid salt, (methanesulfonato-κO)(methanesulfonic acid-κO)rubidium(I), [Rb(CH3SO3)(CH3SO3H)], have been prepared via precipitation from methanesulfonic acid and water under vacuum...
Glenn P A Yap
Glenn P A Yap
An overview of the development of electron diffraction and an introduction to the special issue Advances in Electron Diffraction for Structural Determination. ...
Structural insights into 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers with antibacterial activity [0.03%]
具有抗菌活性的3-[5-（氯苯基）-甲基二吲哚基]丙酸异构体的结构透视
Waldemar Tejchman,Krzysztof Zborowski,Wojciech Nitek et al.
Waldemar Tejchman et al.
The rhodanine derivatives are a group of compounds known for their pharmacological action. Four new crystal structures of 3-[5-(chlorobenzylidene)rhodanine]propionic acid isomers, characterized by X-ray diffraction analysis and theoretical ...