Molecular and crystal structure of 4-ethynylcyanobenzene. An example of Csingle bondHcdots, three dots, centeredN hydrogen bonding

Mahapatra, Sudarshan and Azim, Yasser and Desiraju, Gautam R (2010) Molecular and crystal structure of 4-ethynylcyanobenzene. An example of Csingle bondHcdots, three dots, centeredN hydrogen bonding. In: Journal of Molecular Structure, 976 (1-3, S). pp. 200-204.

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Abstract

The molecular and crystal structures of 4-ethynylcyanobenzene arereported. The packing of molecules in the crystal is found to be homologous with the crystal structures of HCN, cyanoacetylene and 4-cyano-4'-ethynylbiphenyl. Alternatively, these four crystals could be said to constitute a structural homologous series. The influence of C-H center dot center dot center dot N hydrogen bonding in directing a linear supramolecular arrangement of molecules with ethynyl and cyano groups at opposite ends, is illustrated. (C) 2010 Elsevier B.V. All rights reserved.

Item Type:	Journal Article
Publication:	Journal of Molecular Structure
Publisher:	Elsevier science
Additional Information:	Copyright of this article belongs to Elsevier science.
Keywords:	Crystal structure;Crystal engineering;Supramolecular synthon;Hydrogen bonding;Intermolecular interaction
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	16 Aug 2010 11:48
Last Modified:	19 Sep 2010 06:13
URI:	http://eprints.iisc.ac.in/id/eprint/31209

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