Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between N,N′-bis[(pyridin-4-yl)methyl]ethanediamide and 3-chlorobenzoic acid

Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between N,N′-bis[(pyridin-4-yl)methyl]ethanediamide and 3-chlorobenzoic acid

The asymmetric unit of the title 1:2 co-crystal, C14H14N4O2·2C7H5ClO2, comprises a half-molecule of oxalamide (4LH2), being located about a centre of inversion, and a molecule of3-chlorobenzoic acid (3-ClBA) in a general position. From symmetry, the 4LH2 molecule has a (+)antiperiplanar conformation...

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Bibliographic Details
Main Authors: Sang Loon Tan, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2020-06-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
oxalamide
benzoic acid derivative
hydrogen bonding
hirshfeld surface analysis
computational chemistry
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020006568

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http://scripts.iucr.org/cgi-bin/paper?S2056989020006568

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