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3-甲氧基-4-{[5-(4-甲氧基苯基)-1,3,4-恶二唑-2-基]甲氧基}苯甲腈和-(4-{[5-(4-氯苯基)-1,3,4-恶二唑-2-基]甲氧基}苯基)乙酰胺的晶体结构

Crystal structures of 3-meth-oxy-4-{[5-(4-meth-oxy-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}benzo-nitrile and -(4-{[5-(4-chloro-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}phen-yl)acetamide.

作者信息

Lakshmithendral K, Archana K, Saravanan K, Kabilan S, Selvanayagam S

机构信息

Drug Discovery Lab, Department of Chemistry, Annamalai University, Annamalainagar, Chidambaram 608 002, India.

PG & Research Department of Physics, Government Arts College, Melur 625 106, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Nov 30;74(Pt 12):1919-1922. doi: 10.1107/S2056989018016754. eCollection 2018 Dec 1.

Abstract

The title compounds, CHNO and CHClNO, are heterocyclic 1,3,4-oxa-diazole derivatives which differ from each other in the groups attached to the carbon atoms: a meth-oxy-phenyl ring and a benzo-nitrile group in (I) and a chloro-phenyl ring and an acetamide group in (II). Short intra-molecular C-H⋯O hydrogen bonds occur in both mol-ecules. The crystal structure of (I) features C-H⋯N hydrogen bonds, while in the crystal structure of (II), N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds are observed.

摘要

标题化合物CHNO和CHClNO是杂环1,3,4-恶二唑衍生物,它们在连接到碳原子的基团上彼此不同:(I)中的甲氧基苯基环和苯腈基团,以及(II)中的氯苯基环和乙酰胺基团。两种分子中均存在短程分子内C-H⋯O氢键。(I)的晶体结构具有C-H⋯N氢键,而在(II)的晶体结构中,观察到N-H⋯N、C-H⋯N和C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/334b/6281121/8448f391403e/e-74-01919-fig1.jpg

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