4-（2-{[4-氨基-6-（4-硝基苄基）-5-氧代-4,5-二氢-1,2,4-三嗪-3-基]硫烷基}乙酰基）-3-苯基-斯德酮
4-(2-{[4-Amino-6-(4-nitro-benz-yl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan-yl}acet-yl)-3-phenyl-sydnone.
作者信息
Fun Hoong-Kun, Rosli Mohd Mustaqim, Kalluraya Balakrishna
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1196. doi: 10.1107/S1600536811014504. Epub 2011 Apr 22.
Abstract
In the crystal, C(20)H(15)N(7)O(6)S, the dihedral angle between the oxadiazole and triazine rings is 86.94 (7)°. The oxadiazole ring makes a dihedral angle of 52.96 (8)° with the phenyl ring, while the triazine ring makes a dihedral angle of 82.08 (7)° with the benzene ring. In the structure, mol-ecules are linked by a pair of N-H⋯O hydrogen bonds, forming an inversion dimer. The dimers are further stacked along the a axis via N-H⋯N hydrogen bonds. Weak inter-molecular C-H⋯O inter-actions are also observed.
摘要
在晶体C(20)H(15)N(7)O(6)S中，恶二唑环与三嗪环之间的二面角为86.94 (7)°。恶二唑环与苯环的二面角为52.96 (8)°，而三嗪环与苯环的二面角为82.08 (7)°。在该结构中，分子通过一对N-H⋯O氢键相连，形成一个反演二聚体。这些二聚体通过N-H⋯N氢键进一步沿a轴堆积。还观察到弱的分子间C-H⋯O相互作用。
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