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N-{2-[5-(4-氯苯基)-1,2,4-恶二唑-3-基]丙烷-2-基}苄基氨基甲酸酯

Benzyl N-{2-[5-(4-chloro-phen-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate.

作者信息

Fun Hoong-Kun, Sumangala V, Nagaraja G K, Poojary Boja, Chantrapromma Suchada

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o420-1. doi: 10.1107/S1600536811001504.

DOI:10.1107/S1600536811001504
PMID:21523090
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3051527/
Abstract

In the title 1,2,4-oxadiazole derivative, C(19)H(18)ClN(3)O(3), the 1,2,4-oxadiazole ring makes dihedral angles of 12.83 (8) and 4.89 (8)°, respectively, with the benzyl and 4-chloro-phenyl rings, while the dihedral angle between the benzyl and 4-chloro-phenyl rings is 11.53 (7)°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into helical chains along the b axis. A weak C-H⋯π inter-action is also present.

摘要

在标题化合物1,2,4-恶二唑衍生物C(19)H(18)ClN(3)O(3)中，1,2,4-恶二唑环与苄基环和4-氯苯基环的二面角分别为12.83 (8)°和4.89 (8)°，而苄基环与4-氯苯基环之间的二面角为11.53 (7)°。在晶体中，分子通过N-H⋯N氢键沿b轴连接成螺旋链。还存在一个弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/611e/3051527/09512c40a989/e-67-0o420-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/611e/3051527/5027ad88691b/e-67-0o420-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/611e/3051527/09512c40a989/e-67-0o420-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/611e/3051527/5027ad88691b/e-67-0o420-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/611e/3051527/09512c40a989/e-67-0o420-fig2.jpg

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