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4 - ({4 - [1 - (甲氧基亚氨基)乙基]苯胺基}(苯基)亚甲基)-3 - 甲基 - 2 - 苯基 - 1H - 吡唑 - 5(4H)-酮

4-({4-[1-(Methoxy-imino)eth-yl]anilino}(phen-yl)methyl-ene)-3-methyl-2-phenyl-1H-pyrazol-5(4H)-one.

作者信息

Yao Jian, Gao Su-Xia, Dong Wen-Kui, Tong Jun-Feng, Gong Shang-Sheng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3122-3. doi: 10.1107/S1600536809048326.

DOI:10.1107/S1600536809048326
PMID:21578846
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2971858/
Abstract

In the title compound, C(26)H(24)N(4)O(2), the dihedral angles between the central pyrazole ring and the other three benzene rings are 40.02 (3), 77.51 (5) and 55.72 (3)°. A strong intra-molecular N-H⋯O hydrogen bond forms a six-membered ring with an S(6) motif. In the crystal structure, a weak inter-molecular C-H⋯N inter-action with graph-set motif R(2) (2)(8) and C-H⋯O hydrogen bonds link each mol-ecule to three others, forming an infinite two-dimensional supra-molecular structure.

摘要

在标题化合物C(26)H(24)N(4)O(2)中,中心吡唑环与其他三个苯环之间的二面角分别为40.02 (3)°、77.51 (5)°和55.72 (3)°。一个强的分子内N-H⋯O氢键形成了一个具有S(6) motif的六元环。在晶体结构中,一个具有R(2) (2)(8) 图式的弱分子间C-H⋯N相互作用以及C-H⋯O氢键将每个分子与另外三个分子相连,形成一个无限的二维超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6963/2971858/366c308995f2/e-65-o3122-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6963/2971858/9a8017f82e49/e-65-o3122-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6963/2971858/366c308995f2/e-65-o3122-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6963/2971858/9a8017f82e49/e-65-o3122-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6963/2971858/366c308995f2/e-65-o3122-fig2.jpg

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(E)-1-(4-Amino-phen-yl)ethanone oxime.(E)-1-(4-氨基苯基)乙酮肟
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