Crystal structure and Hirshfeld surface analysis of N, N'-(2,2-di-chloro-3-oxo-3-phenyl-propane-1,1-di-yl)diacetamide [0.03%]
N，N'-（2，2-二氯-3-氧代-3-苯基丙烷-1,1-二基）二乙酰胺的晶体结构和Hirshfeld面分析
Firudin I Guseinov,Fatali E Huseynov,Ksenia A Afanaseva et al.
Firudin I Guseinov et al.
The conformation of the title mol-ecule, C13H14Cl2N2O3, is maintained by intra-molecular N-H⋯O, C-H⋯O, and C-H⋯Cl inter-actions, creating S(6), S(5), and S(6) motifs, respectively. In the crystal, inter-molecular N-H⋯O, C-H⋯O, and C-H...
Crystal structure and Hirshfeld surface analysis of (3a RS,4 RS,10 SR,10a SR)-2-(3,5-di-methyl-phen-yl)-4-hy-droxy-10-methyl-1-oxo-2,3,3a,4,10,10a-hexa-hydro-1 H-[1]benzofuro[2,3- f]iso-indole-10-carb-oxy-lic acid di-methyl-formamide monosolvate [0.03%]
(3aRS,4RS,10SR,10aSR)-2-(3,5-二甲基苯基)-4-羟基-10-甲基-1-氧代-2,3,3a,4,10,10a-己氢-1H-[1]苯并呋喃并[2,3-f][1,3]异吲哚-10-甲酸单甲酰胺溶剂化物的晶体结构和Hirshfeld面分析
Elizaveta D Yakovleva,Victoria I Salakhova,Victor N Khrustalev et al.
Elizaveta D Yakovleva et al.
The mol-ecular conformation of the title compound, C24H23NO5·C3H7NO, is consolidated by intra-molecular C-H⋯O O-H⋯O hydrogen bonds, forming an S(6) ring motif. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds, formin...
Structure of entinostat Form B, C21H20N4O3, derived using laboratory powder diffraction data and density functional techniques [0.03%]
基于实验室粉晶衍射数据和密度泛函理论的苯丁诺特B型结构研究，C21H20N4O3
James A Kaduk,Sunil Kumar Rai
James A Kaduk
The crystal structure of entinostat Form B, C21H20N4O3, has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. Entinostat crystallizes in space group Pna21 and the crys...
Synthesis and crystal structure of (Z)-2-(6-chloroimidazo[1,2- a]pyridin-2-yl)-3-[4-(di-methyl-amino)phen-yl]acrylo-nitrile [0.03%]
(Z)-2-(6-氯咪唑并[1，2-a]吡啶-2-基)-3-[4-（二甲氨基）苯基]丙烯腈的合成与晶体结构分析
Ludovic Akonan,Eric Ziki,Deto Ursul Jean-Paul N&#x;guessan et al.
Ludovic Akonan et al.
The structure of the title compound, C18H15ClN4, was determined at low temperature (100 K). In the crystal, the mol-ecules are connected through C-H⋯N and C-H⋯Cl inter-molecular hydrogen bonds generating a network that extend along the [0...
Synthesis, crystal structure and Hirshfeld surface analysis of the two-dimensional hydrogen-bonded network [TCNQ-H2]2+[AsF6]2 [0.03%]
基于[TCNQ-H2]+/[AsF6]-的二维氢键网络体系的合成、晶体结构及Hirshfeld面分析
Malte Sellin,Susanne Margot Rupf,Moritz Malischewski
Malte Sellin
The structure of 2-[4-(di-cyano-meth-yl)cyclo-hexa-2,5-dien-1-yl]propane-bis-(nitrilium) bis-(hexa-fluorido-arsenate), C12H6N4 2+·2AsF6 -, has ortho-rhom-bic (Cmce) symmetry. The compound exhibits a layer structure, which is formed by hydr...
Crystal structure and Hirshfeld surface analysis of 5-(3-nitro-1 H-pyrazol-4-yl)-1 H-tetra-zole [0.03%]
5-(3-硝基-1H-吡唑-4-基)-1H-四氮唑的晶体结构及Hirshfeld面分析
Shannon E Creegan,James A Ridenour,Patrick A Caruana et al.
Shannon E Creegan et al.
5-(3-Nitro-1H-pyrazol-4-yl)tetra-zole, C4H3N7O2, was synthesized from cyano-pyrazole via the Huisgen reaction. The asymmetric unit contains two mol-ecules, each displaying notable torsion between the pyrazole and tetra-zole systems. N-H⋯N ...
Crystal structure and Hirshfeld surface analysis of a supra-molecular aggregate of 4-formyl- N, N-di-methyl-anilinium bromide with tetra-bromomethane [0.03%]
4-甲醛-N，N-二甲基苯铵溴化物与四溴化碳的超分子聚集体的晶体结构和Hirshfeld面分析
Atash V Gurbanov,Tuncer Hökelek,Gunay Z Mammadova et al.
Atash V Gurbanov et al.
The title compound, C9H12NO+·Br-·CBr4, consists of one 4-formyl-N,N-di-methyl-benzenaminium bromide and a tetra-bromo-methane mol-ecule. In the crystal, the bromide ions link 4-formyl-N,N-di-methyl-benzenaminium moieties through inter-mol...
Joseph B Donahue,Titir Das Gupta,Laura Fiabane et al.
Joseph B Donahue et al.
The crystal structure of the title compound, [Ni(C14H8F2S2)2] (I), reveals averaged S-C [1.708 (2) Å] and C-Cchelate [1.395 (4) Å] bond lengths that are consistent with radical monoanionic ligands paired with a divalent Ni2+ ion. Mol-ecul...
Crystal structure, Hirshfeld surface and inter-molecular inter-action energy analysis of the halogen-bonded 1:1 cocrystal 1-bromo-3,5-di-nitro-benzene- N, N-di-methyl-pyridin-4-amine [0.03%]
1-溴-3,5-二硝基苯与N,N-二甲基吡啶-4-胺的卤素键合1:1共晶的晶体结构、Hirshfeld面及分子间相互作用能分析
Eric Bosch
Eric Bosch
The structure of the 1:1 cocrystal formed between 1-bromo-3,5-di-nitro-benzene and N,N-di-methyl-pyridin-4-amine that features a C-Br⋯N halogen bond is reported. The cocrystal, C6H3BrN2O4·C7H10N2, crystalizes in the monoclinic space group...
Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (E)-2-cyano-3-[5-(4-ethyl-phen-yl)isoxazol-3-yl]prop-2-enoate [0.03%]
乙基(E)-2-氰基-3-[5-(4-乙基苯基)异唑-3-基]丙-2-烯酸酯的合成、晶体结构和Hirshfeld面分析
Irina A Kolesnik,Artem P Sanchez-Pimentel,Mikhail S Grigoriev et al.
Irina A Kolesnik et al.
In the mol-ecule of the title compound, C17H16N2O3, the isoxazol and phenyl rings are oriented at a dihedral angle of 14.84 (5)°. The 2-cyano-acrylate moiety is in E- configuration. In the crystal, there are no inter-molecular hydrogen-bon...