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

4-(1,3-Benzothia-zol-2-yl)-5-methyl-2-phenyl-1-propynyl-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):o2843. doi: 10.1107/S1600536810040328.

Abstract

The title compound, C(20)H(15)N(3)OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothia-zol-2-yl) and 2-phenyl substit-uents. The five-membered ring and the fused-ring system are close to planar, the r.m.s. deviations being 0.025 and 0.005 Å, respectively. The five-membered ring is aligned at 67.5 (1)° with respect to the phenyl ring and at 4.7 (1)° with respect to the fused-ring system. In the crystal, adjacent mol-ecules are linked through the acetyl-enic H atom by a C-H⋯O hydrogen bond into C(8) chains propagating in [010].

摘要

标题化合物C(20)H(15)N(3)OS是一种1H-吡唑-3(2H)-酮,具有芳香族的4-(1,3-苯并噻唑-2-基)和2-苯基取代基。五元环和稠环体系接近平面,均方根偏差分别为0.025和0.005 Å。五元环相对于苯环的夹角为67.5 (1)°,相对于稠环体系的夹角为4.7 (1)°。在晶体中,相邻分子通过烯丙基H原子以C-H⋯O氢键相连,形成沿[010]方向延伸的C(8)链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/17f4/3008972/12423d9a628a/e-66-o2843-fig1.jpg

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