Crystal structure of <i>N</i>,<i>N</i>′,<i>N</i>′′-tricyclopropylbenzene-1,3,5-tricarboxamide

The title compound, C<sub>18</sub>H<sub>21</sub>N<sub>3</sub>O<sub>3</sub>, was prepared from 1,3,5-benzene-tricarbonyl trichloride and cyclo-propyl-amine. Its crystal structure was solved in the monoclinic space group <i>P</i>2<sub>1</sub>/<i>c</i>. In the crystal, the three amide groups of the mol-ecule 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 mol-ecules are linked by N-H⋯O hydrogen bonds, forming two-dimensional supra-molecular aggregates that extend parallel to the crystallographic <i>ab</i> plane and are further connected by C-H⋯O contacts. As a result of the supra-molecular inter-actions, a propeller-like conformation of the title mol-ecule can be observed.

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2024-10-24
DOI
https://doi.org/10.1107/s2056989024009800
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

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

Manuel Stapf, Monika Mazik, Venugopal Rao Miyyapuram, Wilhelm Seichter
Acta Crystallographica Section E Crystallographic Communications
Crystal structures of chemical compounds
article

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

Manuel Stapf, Monika Mazik, Venugopal Rao Miyyapuram, Wilhelm Seichter
article en

Abstract

The title compound, C<sub>18</sub>H<sub>21</sub>N<sub>3</sub>O<sub>3</sub>, was prepared from 1,3,5-benzene-tricarbonyl trichloride and cyclo-propyl-amine. Its crystal structure was solved in the monoclinic space group <i>P</i>2<sub>1</sub>/<i>c</i>. In the crystal, the three amide groups of the mol-ecule 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 mol-ecules are linked by N-H⋯O hydrogen bonds, forming two-dimensional supra-molecular aggregates that extend parallel to the crystallographic <i>ab</i> plane and are further connected by C-H⋯O contacts. As a result of the supra-molecular inter-actions, a propeller-like conformation of the title mol-ecule can be observed.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 80(11)
Fisher Bioservices (United States) (US), Thermo Fisher Scientific (United States) (US), TU Bergakademie Freiberg (DE)
Openalex Percentile: Top 85%
Crystal structures of chemical compounds
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Crystal structure of <i>N</i>,<i>N</i>′,<i>N</i>′′-tricyclopropylbenzene-1,3,5-tricarboxamide — Manuel Stapf, Monika Mazik, et al. · Acta Crystallographica Section E Crystallographic Communications (2024) | TGRS Research Map | TGRS