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N-[(4-氯苯基)(3-甲基-5-氧代-1-苯基-4,5-二氢-1H-吡唑-4-基亚甲基)甲基]甘氨酸甲酯

Methyl N-[(4-chloro-phen-yl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)meth-yl]glycinate.

作者信息

Zhang Xin, Huang Meng, Du Cong, Chen Dan

机构信息

College of Chemistry and Life Science, Tianjin Normal University, Tianjin 300387, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 22;65(Pt 8):o1951-2. doi: 10.1107/S1600536809027858.

DOI:10.1107/S1600536809027858
PMID:21583631
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977320/
Abstract

The title compound, C(20)H(18)ClN(3)O(3), is in an enamine-keto form, stabilized by two strong intra-molecular N-H⋯O hydrogen bonds. The pyrazole ring is oriented at dihedral angles of 4.13 (3) and 85.60 (3)° with respect to the aromatic rings. The dihedral angle between the aromatic rings is 81.79 (3)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into double chains, which are further linked by weak C-H⋯π inter-actions, forming a two-dimensional network.

摘要

标题化合物C(20)H(18)ClN(3)O(3)呈烯胺-酮形式，通过两个强分子内N-H⋯O氢键得以稳定。吡唑环相对于芳环的二面角分别为4.13 (3)°和85.60 (3)°。芳环之间的二面角为81.79 (3)°。在晶体结构中，分子间C-H⋯O氢键将分子连接成双链，双链通过弱C-H⋯π相互作用进一步连接，形成二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/462b/2977320/0e706e3e1245/e-65-o1951-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/462b/2977320/d11c847cecf2/e-65-o1951-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/462b/2977320/67b2d7136007/e-65-o1951-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/462b/2977320/0e706e3e1245/e-65-o1951-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/462b/2977320/d11c847cecf2/e-65-o1951-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/462b/2977320/67b2d7136007/e-65-o1951-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/462b/2977320/0e706e3e1245/e-65-o1951-fig3.jpg

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本文引用的文献

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