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4-(3,4-二甲基苯胺基)-(3,4-二甲基苯基)喹啉-3-甲酰胺的合成、晶体结构及 Hirshfeld 分析

The synthesis, crystal structure and Hirshfeld analysis of 4-(3,4-di-methyl-anilino)--(3,4-di-methyl-phen-yl)quinoline-3-carboxamide.

作者信息

Gomes Ligia R, Low John Nicolson, Borges Fernanda, Gaspar Alexandra, Mesiti Francesco

机构信息

REQUIMTE, Departamento de Química e Bioquímica, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007, Porto, Portugal.

FP-ENAS-Faculdade de Ciências de Saúde, Escola Superior de Saúde da UFP, Universidade Fernando Pessoa, Rua Carlos da Maia, 296, P-4200-150 Porto, Portugal.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Jan 17;76(Pt 2):201-207. doi: 10.1107/S2056989020000298. eCollection 2020 Feb 1.

Abstract

The structure of the title quinoline carboxamide derivative, CHNO, is described. The quinoline moiety is not planar as a result of a slight puckering of the pyridine ring. The secondary amine has a slightly pyramidal geometry, certainly not planar. Both intra- and inter-molecular hydrogen bonds are present. Hirshfeld surface analysis and lattice energies were used to investigate the inter-molecular inter-actions.

摘要

描述了标题喹啉甲酰胺衍生物CHNO的结构。由于吡啶环略有褶皱,喹啉部分不是平面的。仲胺具有略微呈金字塔形的几何结构,肯定不是平面的。分子内和分子间氢键均存在。使用 Hirshfeld 表面分析和晶格能来研究分子间相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13e1/7001829/f790c3b08d7a/e-76-00201-fig1.jpg

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