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2-[5-(4-氯苯基)-1-(4-氟苯基)-1H-吡唑-3-基]-4-甲基噻唑-5-羧酸乙酯

Ethyl 2-[5-(4-chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]-4-methyl-thia-zole-5-carboxyl-ate.

作者信息

Loh Wan-Sin, Fun Hoong-Kun, Ragavan R Venkat, Vijayakumar V, Sarveswari S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 23;66(Pt 11):o2925. doi: 10.1107/S1600536810042066.

DOI:10.1107/S1600536810042066
PMID:21589099
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009042/
Abstract

In the title compound, C(22)H(17)ClFN(3)O(2)S, the pyrazole ring is approximately planar with a maximum deviation of 0.001 (4) Å and makes dihedral angles of 4.95 (19), 35.78 (18) and 54.73 (18)° with the thia-zole, fluoro-benzene and chloro-benzene rings, respectively. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along the a axis.

摘要

在标题化合物C₂₂H₁₇ClFN₃O₂S中，吡唑环近似平面，最大偏差为0.001 (4) Å，与噻唑、氟苯和氯苯环的二面角分别为4.95 (19)°、35.78 (18)°和54.73 (18)°。在晶体中，分子间的C—H⋯O氢键将分子沿a轴连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24a0/3009042/12281294e27f/e-66-o2925-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24a0/3009042/6a253c9a4370/e-66-o2925-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24a0/3009042/12281294e27f/e-66-o2925-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24a0/3009042/6a253c9a4370/e-66-o2925-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24a0/3009042/12281294e27f/e-66-o2925-fig2.jpg

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