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4-{[(2,4-二羟基-亚苄基)氨基]-甲基}环己烷羧酸的晶体结构

Crystal structure of 4-{[(2,4-di-hydroxy-benzyl-idene)amino]-meth-yl}cyclo-hexane-carb-oxy-lic acid.

作者信息

Danish Muhammad, Akbar Saba, Tahir Muhammad Nawaz, Butt Rabia Ayub, Ashfaq Muhammad

机构信息

Department of Chemistry, Institute of Natural Sciences, University of Gujrat, Gujrat 50700, Pakistan.

Department of physics, University of Sargodha, Sargodha, Punjab, Pakistan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Nov 28;71(Pt 12):o995-6. doi: 10.1107/S2056989015022343. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015022343
PMID:26870569
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719941/
Abstract

In the title compound, C15H19NO4, the cyclo-hexyl ring adopts a chair conformation with both exocyclic C-C bonds in equatorial orientations. The dihedral angle between the basal plane of cyclo-hexyl ring and the 2,4-di-hydroxy-benzaldehyde moiety is 84.13 (13)°. An intra-molecular O-H⋯N hydrogen bonds closes an S(6) ring. In the crystal, Oc-H⋯Op (c = carb-oxy-lic acid, p = phenol) hydrogen bonds link the mol-ecules into [100] C(13) chains whereas an Op-H⋯Oc hydrogen bond generates [101] C(15) chains. Together, these bonds generate (010) sheets incorporating R 2 (2)(20) loops. Weak C-H⋯O and C-H⋯π inter-actions also occur.

摘要

在标题化合物C₁₅H₁₉NO₄中,环己基环呈椅式构象,两个环外C-C键均处于平伏取向。环己基环的基面与2,4-二羟基苯甲醛部分之间的二面角为84.13 (13)°。分子内O-H⋯N氢键形成一个S(6)环。在晶体中,Oc-H⋯Op(c = 羧酸,p = 苯酚)氢键将分子连接成[100] C(13)链,而Op-H⋯Oc氢键生成[101] C(15)链。这些键共同形成包含R 2 (2)(20)环的(010)片层。还存在弱的C-H⋯O和C-H⋯π相互作用。

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本文引用的文献

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