Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 8 (August 2007)

organic compounds

av3095 scheme

Acta Cryst. (2007). C63, o445-o447 [ doi:10.1107/S0108270107028922 ]

Crystal packing of two 5-substituted 2-methyl-4-nitro-1H-imidazoles

P. Wagner, K. Swierczek and M. Kubicki

Abstract: Infinite chains connected by N-HN hydrogen bonding form the primary packing motif in two closely related 4-nitroimidazole derivatives, viz. 5-bromo-2-methyl-4-nitro-1H-imidazole, C₄H₄BrN₃O₂, (I), and 2-methyl-4-nitro-1H-imidazole-5-carbonitrile, C₅H₄N₄O₂, (II). These chains are almost identical, even though in (II) there are two symmetry-independent molecules in the asymmetric unit. The differences appear in the interactions between the chains; in (I), there are strong C-BrO halogen bonds, which connect the chains into a two-dimensional grid, while in (II), the cyano group does not participate in specific interactions and the chains are only loosely connected into a three-dimensional structure.

Formula: C₄H₄BrN₃O₂ and C₅H₄N₄O₂


	Structure factor file (CIF format) (58.8 kbytes) [ doi:10.1107/S0108270107028922/av3095Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (116.0 kbytes) [ doi:10.1107/S0108270107028922/av3095IIsup3.hkl ] Contains datablock II

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