Crystal structure of N,N′,N′′-tri­cyclo­prop­ylbenzene-1,3,5-tricarboxamide

IF 0.5 Q4 CRYSTALLOGRAPHY
Manuel Stapf , Venugopal Rao Miyyapuram , Wilhelm Seichter , Monika Mazik
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引用次数: 0

Abstract

In the crystal structure, the mol­ecules are connected by N—H⋯O hydrogen bonds to create two-dimensional supra­molecular networks extending parallel to the crystallographic ab plane.
The title compound, C18H21N3O3, was prepared from 1,3,5-benzene­tricarbonyl trichloride and cyclo­propyl­amine. Its crystal structure was solved in the monoclinic space group P21/c. In the crystal, the three amide groups of the mol­ecule are inclined at angles of 26.5 (1), 36.9 (1) and 37.8 (1)° with respect to the plane of the benzene ring. The mol­ecules are linked by N—H⋯O hydrogen bonds, forming two-dimensional supra­molecular aggregates that extend parallel to the crystallographic ab plane and are further connected by C—H⋯O contacts. As a result of the supra­molecular inter­actions, a propeller-like conformation of the title mol­ecule can be observed.
N,N',N " -三环丙基苯-1,3,5-三羧基酰胺的晶体结构。
以1,3,5-苯-三氯化三羰基和环丙胺为原料合成了标题化合物C18H21N3O3。其晶体结构在单斜空间群P21/c中求解。在晶体中,分子的三个酰胺基团相对于苯环平面分别以26.5(1)、36.9(1)和37.8(1)°的角度倾斜。分子由N-H⋯O氢键连接,形成平行于晶体ab平面的二维超分子聚集体,并通过C-H⋯O接触进一步连接。由于超分子间的相互作用,可以观察到标题分子的螺旋桨状构象。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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