（E）-4-{1-[2-（氨基甲酰硫基）肼-1-亚基]乙基}苯基 4-甲基苯甲酸酯的晶体结构
Crystal structure of (E)-4-{1-[2-(car-bamo-thio-yl)hydrazin-1-yl-idene]ethyl}phenyl 4-methyl-benzoate.
作者信息
Mani Karthik Ananth, Viswanathan Vijayan, Narasimhan S, Velmurugan Devadasan
机构信息
Department of Chemistry, Asthagiri Herbal Research Foundation, Perungudi Industrial Estate, Perungudi, Chennai 600 096, India.
Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o43-4. doi: 10.1107/S2056989014026942.
The asymmetric unit of the title compound, C17H17N3O2S, consists of two independent mol-ecules, A and B, with different conformations: in mol-ecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamo-thio-ylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in mol-ecule B are 50.56 (12) and 26.43 (11)°, respectively. Both mol-ecules feature an intra-molecular N-H⋯N hydrogen bond, which closes an S(5) ring. In the crystal, mol-ecules are linked by N-H⋯O, N-H⋯S and C-H⋯O hydrogen bonds, generating a three-dimensional network.
标题化合物C17H17N3O2S的不对称单元由两个构象不同的独立分子A和B组成：在分子A中，中心苯环与悬垂甲苯基和氨基硫代肼基之间的二面角分别为71.12 (9)°和5.95 (8)°。分子B中的相应角度分别为50.56 (12)°和26.43 (11)°。两个分子均具有分子内N-H⋯N氢键，形成一个S(5)环。在晶体中，分子通过N-H⋯O、N-H⋯S和C-H⋯O氢键相连，形成三维网络。
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