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2-(3-氯苯基)-6-羟基-6-甲基-4-(甲氨基)环己-3-烯-1,3-二羧酸二甲酯

Dimethyl 2-(3-chloro-phen-yl)-6-hy-droxy-6-methyl-4-(methyl-amino)-cyclo-hex-3-ene-1,3-dicarboxyl-ate.

作者信息

Amirthaganesan S, Sundaramoorthy S, Velmurugan D, Jeong Y T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1424. doi: 10.1107/S1600536811017089. Epub 2011 May 14.

DOI:10.1107/S1600536811017089
PMID:21754804
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120530/
Abstract

In the title compound, C(18)H(22)ClNO(5), the cyclo-hexene ring adopts a distorted half-chair conformation. The mol-ecular structure is stabilized by pairs of intra-molecular N-H⋯O and O-H⋯O inter-actions, generating S(6) motifs. In the crystal, the mol-ecules are linked by inter-molecular C-H⋯O inter-actions, forming centrosymmetric dimers.

摘要

在标题化合物C₁₈H₂₂ClNO₅中，环己烯环呈扭曲的半椅式构象。分子结构通过分子内N—H⋯O和O—H⋯O相互作用对得以稳定，形成S(6) motif。在晶体中，分子通过分子间C—H⋯O相互作用相连，形成中心对称二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/94df/3120530/70a5b5fb398f/e-67-o1424-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/94df/3120530/83d72add3602/e-67-o1424-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/94df/3120530/70a5b5fb398f/e-67-o1424-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/94df/3120530/83d72add3602/e-67-o1424-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/94df/3120530/70a5b5fb398f/e-67-o1424-fig2.jpg

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