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1-苄基-4-(4-硝基苯基)-2,3-二氢-1H-1,5-苯并二氮杂䓬:由两个C-H...O氢键和一个C-H...π(芳烃)氢键形成的三维骨架结构。

1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine: a three-dimensional framework structure generated by two C-H...O hydrogen bonds and one C-H...pi(arene) hydrogen bond.

作者信息

Torres Harlen, Insuasty Braulio, Cobo Justo, Low John N, Glidewell Christopher

机构信息

Grupo de Investigación de Compuestos Heterocíclicos, Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.

出版信息

Acta Crystallogr C. 2005 Jun;61(Pt 6):o404-7. doi: 10.1107/S010827010501379X. Epub 2005 May 20.

DOI:10.1107/S010827010501379X
PMID:15930697
Abstract

In the title compound, C22H19N3O2, the seven-membered ring adopts a boat conformation. The molecules are linked by a combination of two C-H...O hydrogen bonds and one C-H...pi(arene) hydrogen bond into a complex three-dimensional framework structure; each individual hydrogen bond generates a one-dimensional substructure, and pairwise combinations of two hydrogen bonds generate a further set of three one-dimensional substructures.

摘要

在标题化合物C₂₂H₁₉N₃O₂中,七元环呈船式构象。分子通过两个C—H…O氢键和一个C—H…π(芳烃)氢键的组合连接成复杂的三维骨架结构;每个单独的氢键产生一个一维子结构,两个氢键的成对组合又产生另外一组三个一维子结构。

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