（E）-5- [（1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-基）亚氨基甲基] -2-甲氧基苯基 4-溴苯磺酸盐
(E)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-2-methoxy-phenyl 4-bromo-benzene-sulfonate.
作者信息
Guo Min-Jie, Chen Xin, Yao Jing-Xia
机构信息
College of Sciences, Tianjin University of Science and Technology, Tianjin 300457, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1360. doi: 10.1107/S1600536810017198.
In the title compound, C(25)H(22)BrN(3)O(5)S, the central benzene ring makes dihedral angles of 32.02 (14), 37.49 (18) and 80.52 (13)°, respectively, with the pyrazolone ring, the bromo-benzene ring and the terminal phenyl ring. This conformation features a short intramolecular C-H⋯O contact that generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H⋯O=C hydrogen bonds occur.
在标题化合物C₂₅H₂₂BrN₃O₅S中，中心苯环与吡唑啉酮环、溴苯环和末端苯环分别形成的二面角为32.02 (14)°、37.49 (18)°和80.52 (13)°。这种构象的特征是存在一个短的分子内C-H⋯O接触，形成了一个S(6)环。在晶体中，通过成对的C-H⋯O=C氢键形成了反演二聚体。
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