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1-烯丙基-4-(1,3-苯并噻唑-2-基)-5-甲基-2-苯基-1H-吡唑-3(2H)-酮

1-Allyl-4-(1,3-benzothia-zol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one.

作者信息

Chakib Imane, Zerzouf Abdelfettah, Zouihri Hafid, Essassi El Mokhtar, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 20;66(Pt 11):o2842. doi: 10.1107/S1600536810040316.

Abstract

The title compound, C(20)H(17)N(3)OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothia-zol-2-yl)- and 2-phenyl substituents. The five-membered ring and fused ring system are planar, the r.m.s. deviations being 0.021 and 0.005 Å, respectively. The five-membered ring is aligned at 7.9 (2)° with respect to the fused-ring system. The allyl and phenyl parts of the mol-ecule are both disordered over two positions in a 1:1 ratio. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

摘要

标题化合物C(20)H(17)N(3)OS是一种1H-吡唑-3(2H)-酮,具有芳族4-(1,3-苯并噻唑-2-基)-和2-苯基取代基。五元环和稠环体系是平面的,均方根偏差分别为0.021和0.005 Å。五元环相对于稠环体系以7.9 (2)°的角度排列。分子的烯丙基和苯基部分在两个位置上均以1:1的比例无序排列。晶体结构中存在弱的分子间C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/11d2/3008974/5c9177ff2c0f/e-66-o2842-fig1.jpg

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