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N-(1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-基)-4-甲基苯磺酰胺

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-methyl-benzene-sulfonamide.

作者信息

da Silva Luiz Everson, de Sousa Paulo Teixeira, Dall'oglio Evandro Luiz, Foro Sabine

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o52. doi: 10.1107/S1600536807061594.

Abstract

In the title compound, C(18)H(19)N(3)O(3)S, the phenyl ring and the pyrazole ring are twisted with respect to each other by an angle of 49.11 (7)°. The C-N-S-C torsion angle is -122.5 (2)°. The methyl group bonded to the N atom of the pyrazole ring has a large deviation from the mean ring plane of 0.603 (3) Å. One inter-molecular N-H⋯O and two non-classical inter-molecular C-H⋯O hydrogen bonds are observed in the crystal structure.

摘要

在标题化合物C(18)H(19)N(3)O(3)S中,苯环和吡唑环彼此扭曲,扭转角为49.11 (7)°。C-N-S-C扭转角为-122.5 (2)°。与吡唑环的N原子相连的甲基与平均环平面的偏差较大,为0.603 (3) Å。在晶体结构中观察到一个分子间N-H⋯O氢键和两个非经典的分子间C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9724/2915010/d3f7f2619381/e-64-00o52-fig1.jpg

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