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4-{[5-(4-氯苯基)-1-(4-氟苯基)-1H-吡唑-3-基]羰基}-N-(4-氰基苯基)哌嗪-1-甲酰胺

4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-(4-cyano-phen-yl)piperazine-1-carboxamide.

作者信息

Loh Wan-Sin, Fun Hoong-Kun, Ragavan R Venkat, Vijayakumar V, Venkatesh M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 15;66(Pt 10):o2563-4. doi: 10.1107/S1600536810036159.

DOI:10.1107/S1600536810036159
PMID:21587549
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983346/
Abstract

In the title compound, C(28)H(22)ClFN(6)O(2), the piperazine ring adopts a chair conformation and the least-squares plane through the four coplanar atoms forms dihedral angles of 69.37 (13) and 56.56 (12)°, respectively, with the pyrazole and cyano-phenyl rings. The dihedral angles formed between the pyrazole and the attached fluoro- and chloro-phenyl rings are 34.16 (10) and 73.27 (12)°, respectively. In the crystal, inter-molecular N-H⋯O, C-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules into sheets parallel to the ac plane.

摘要

在标题化合物C(28)H(22)ClFN(6)O(2)中，哌嗪环呈椅式构象，通过四个共面原子的最小二乘平面分别与吡唑环和氰基苯环形成69.37 (13)°和56.56 (12)°的二面角。吡唑环与相连的氟苯环和氯苯环之间形成的二面角分别为34.16 (10)°和73.27 (12)°。在晶体中，分子间的N-H⋯O、C-H⋯N和C-H⋯O氢键将分子连接成平行于ac平面的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ebc/2983346/6ffd1624e8c9/e-66-o2563-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ebc/2983346/f64de0621c8e/e-66-o2563-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ebc/2983346/6ffd1624e8c9/e-66-o2563-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ebc/2983346/f64de0621c8e/e-66-o2563-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ebc/2983346/6ffd1624e8c9/e-66-o2563-fig2.jpg

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