Article

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

DOI: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, Sp. Iss. SI). pp. 200-204.
Source: OAI

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.

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Keywords

4-cyano-4'-ethynylbiphenyl
 
4-ethynylcyanobenzene arereported
 
C-H center dot center dot center dot N hydrogen
 
crystal structures
 
cyano groups
 
cyanoacetylene
 
ethynyl
 
four crystals
 
HCN
 
homologous
 
linear supramolecular arrangement
 
structural homologous series