Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 4 (April 2004)

gd1304 scheme

Acta Cryst. (2004). C60, o255-o257 [doi:10.1107/S0108270104003294]

Cyano-cyano and chloro-cyano interactions in two imidazole derivatives

M. Kubicki

Abstract: In two closely related 1-aryl-2-methyl-4-nitro-5-cyanoimidazoles, namely 2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile, C₁₁H₈N₄O₂, and 1-(4-chlorophenyl)-2-methyl-4-nitro-1H-imidazole-5-carbonitrile, C₁₁H₇ClN₄O₂, different weak intermolecular interactions determine the crystal packing. In the 1-phenyl derivative, dipole-dipole interactions between antiparallel cyano groups connect molecules into centrosymmetric dimers, while in the 1-(4-chlorophenyl) derivative, the dimers are connected by C [triple bond] NCl-C halogen bonds. These interactions, together with weak C-HO(N) hydrogen bonds, connect molecules related by subsequent centres of inversion into infinite tapes.

Formula: C₁₁H₈N₄O₂ and C₁₁H₇ClN₄O₂

Online 11 March 2004


	Structure factor file (CIF format) (133.0 kbytes) Contains datablock I

	Structure factor file (CIF format) (145.7 kbytes) Contains datablock 2

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