Synthesis and crystal structure of topiramate azido-sulfate at 90 K and 298 K [0.03%]
叠氮硫酸托吡酯的合成及晶体结构研究（90K和298K）
Prabhakar Priyanka,Bidarur K Jayanna,Haruvegowda Kiran Kumar et al.
Prabhakar Priyanka et al.
The low (90 K) and room (298 K) temperature crystal structures of topiramate azido-sulfate [systematic name 2,3:4,5-bis-O-(1-methyl-ethyl-idene)-β-d-fructo-pyran-ose azido-sulfate], C12H19N3O8S, an inter-mediate in the synthesis of the ant...
Crystal structure and Hirshfeld surface analysis of N-{[diphen-yl(vin-yl)sil-yl]meth-yl}-2-methyl-propan-2-ammonium chloride [0.03%]
N-{[二苯基(乙烯)硅基]甲基}-2-甲基丙烷-2-铵氯化物的晶体结构和Hirshfeld面分析
Christoph Schwab,Andreas Voss,Carsten Strohmann
Christoph Schwab
N-{[Diphen-yl(vin-yl)sil-yl]meth-yl}-2-methyl-propan-2-amine, C19H25NSi, is a newly synthesized secondary amino-methyl-silane that can be used, for example, to study carboli-thia-tion reactions of vinyl-silanes. Because the neutral compound...
Crystal structure and Hirshfeld surface analysis of N-(2,6-di-methyl-phen-yl)-2-[3-hy-droxy-2-oxo-3-(2-oxoprop-yl)indolin-1-yl]acetamide [0.03%]
N-(2,6-二甲基苯基)-2-[3-羟基-2-氧代-3-(2-氧代丙基)吲哚啉-1-基]乙酰胺的晶体结构和Hirshfeld面分析
Intissar Nchioua,Abdulsalam Alsubari,Joel T Mague et al.
Intissar Nchioua et al.
The cup-shaped conformation of the title mol-ecule, C21H22N2O4, is largely determined by an intra-molecular N-H⋯O hydrogen bond. In the crystal, double layers of mol-ecules are formed by O-H⋯O and C-H⋯O hydrogen bonds. A Hirshfeld surfac...
Crystal structure, Hirshfeld surface analysis and DFT calculations of 7-bromo-2,3-di-hydro-pyrrolo[2,1- b]quinazolin-9(1 H)-one [0.03%]
7-溴-2,3-二氢吡咯并[2,1-b]喹唑啉-9(1H)-酮的晶体结构、Hirshfeld面分析及DFT计算
Akmaljon Tojiboev,Burkhon Elmuradov,Nuritdin Kattaev et al.
Akmaljon Tojiboev et al.
The mol-ecular structure of the title compound, C11H9BrN2O, is almost planar. The benzene and pyrimidine rings are essentially coplanar, with r.m.s. deviations of 0.0130 Å, and the largest displacement is for the flap atom of the di-hydro-...
Prabhakar Priyanka,Bidarur K Jayanna,Haruvegowda Kiran Kumar et al.
Prabhakar Priyanka et al.
The structure of ebastinium hydrogen fumarate {systematic name: 1-[4-(4-tert-butyl-phen-yl)-4-oxobut-yl]-4-(di-phenyl-meth-oxy)piperidin-1-ium (E)-3-carb-oxy-1-hy-droxy-prop-2-en-1-olate}, C32H40NO2 +·C4H3O4 -, a 1:1 salt formed in the rea...
Crystal structure determination, Hirshfeld surface, crystal void, inter-molecular inter-action energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-di-hydro-1 H-pyra-zolo[3,4- d]pyrimidin-1-yl)acetic acid [0.03%]
2-(4-氧代-4,5-二氢-1H-吡唑并[3,4-d]嘧啶-1-基)乙酸的晶体结构测定、 Hirshfeld面、 晶体空穴及分子间相互作用能分析以及DFT和能量构架计算
Ezaddine Irrou,Younesse Ait Elmachkouri,Ali Oubella et al.
Ezaddine Irrou et al.
In the title mol-ecule, C7H6N4O3, the bicyclic ring system is planar with the carb-oxy-methyl group inclined by 81.05 (5)° to this plane. In the crystal, corrugated layers parallel to (010) are generated by N-H⋯O, O-H⋯N and C-H⋯O hydrog...
Crystal structures of two new divalent transition-metal salts of carb-oxy-benzene-sulfonate anions [0.03%]
两个新的二价过渡金属碳氧苯磺酸盐的晶体结构
Reuben T Bettinger,Philip J Squattrito,Darpandeep Aulakh et al.
Reuben T Bettinger et al.
Hexa-aqua-nickel(II) bis-(3-carb-oxy-4-hy-droxy-benzene-sulfonate) dihydrate, [Ni(H2O)6][C6H3(CO2H)(OH)SO3]2·2H2O, (I), crystallizes in the triclinic space group P with the nickel(II) aqua complexes on centers of inversion. The carboxyl-at...
Crystal structure of 4,4'-(diazenediyl)dipyridinium nitrate perchlorate [0.03%]
4,4'-偶氮二吡啶硝酸高氯酸盐的晶体结构
Qi-Ming Qiu,Jian-Biao Song,Ai-Guo Dong et al.
Qi-Ming Qiu et al.
The title compound, C10H10N4 2+·NO3 -·ClO4 -, was obtained unexpectedly by the reaction of Co(ClO4)2·6H2O and cytidine-5'-monophosphate with 4,4'-azo-pyridine in an aqueous solution of nitric acid. The mol-ecular structure comprises two ...
Crystal structure and Hirshfeld surface analysis of ethyl (3 E)-5-(4-fluoro-phen-yl)3-{[(4-meth-oxy-phen-yl)formamido]-imino}-7-methyl-2 H,3 H,5 H-[1,3]thia-zolo[3,2- a]pyrimidine-6-carboxyl-ate 0.25-hydrate [0.03%]
乙基(3E)-5-(4-氟苯基)-3-{[(4-甲氧基苯基)甲酰氨基]亚氨基}-7-甲基-2H,3H,5H-[1,3]噻唑并[3,2-a]嘧啶-6-羧酸酯半水合物的晶体结构及 Hirshfeld 表面分析
Shaaban K Mohamed,Joel T Mague,Mehmet Akkurt et al.
Shaaban K Mohamed et al.
In the title compound, C24H23FN4O4S·0.25H2O, the di-hydro-pyrimidine ring is distinctly non-planar, with the flap C atom deviating by 0.297 (2) Å from the least-squares plane. In the crystal, zigzag chains are formed by N-H⋯N hydrogen bo...
Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy-droxy-imino- N-[1-(pyrazin-2-yl)ethyl-idene]propano-hydrazide [0.03%]
2-羟基亚氨基-N-[1-(吡嗪-2-亚甲基)]丙二腙的晶体结构、Hirshfeld面分析及几何优化研究
Maksym O Plutenko,Svitlana V Shishkina,Oleg V Shishkin et al.
Maksym O Plutenko et al.
In the mol-ecule of the title compound, C9H11N5O2, the oxime and hydrazide groups are situated in a cis-position in relation to the C-C bond linking the two functional groups. The CH3C(=NOH)C(O)NH fragment deviates from planarity because of...