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

Authors

Pawel Wagner, University of WollongongFollow
Krzysztof Swierczek, Silesian University of Technology
Maciej Kubicki, Adam Mickiewicz University

RIS ID

21117

Publication Details

Wagner, P., Swierczek, K. & Kubicki, M. (2007). Crystal packing of two 5-substituted 2-methyl-4-nitro-1H-imidazoles. Acta Crystallographica Section C: Crystal Structure Communications, 63 (8), o445-o447.

Abstract

Infinite chains connected by N-H...N 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-Br...O 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.