Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding.

Acta Crystallogr C Struct Chem

Instrumental Analysis & Research Center, Sun Yat-sen University, No. 135 Xingang West Road, Guangzhou, Guangdong 510275, People's Republic of China.

Published: August 2024

Two ionic hydrogen-bonded organic frameworks (iHOFs) assembled from 4-cyano-N-(4-cyanobenzyl)pyridinium, have been crystallized with Br and antimony(III) pentabromide, [SbBr], as counter-ions and characterized. These are 4-cyano-N-(4-cyanobenzyl)pyridinium bromide, CHN·Br, and bis[4-cyano-N-(4-cyanobenzyl)pyridinium] antimony(III) pentabromide, (CHN)[SbBr]. The CH...NC interactions induced by templating anions construct disparate frameworks. Hirshfeld surface analysis indicated that these crystals exhibit two types of hydrogen-bonding interactions, specifically CH...NC and CH...Br. Consecutive reverse-parallel CH...NC hydrogen-bonding interactions in these crystals induced the formation of a large number of CH...NC bonds which exhibit both cis and trans configurations.

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http://dx.doi.org/10.1107/S2053229624005850DOI Listing

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