Crystal structure of 4,5-di-nitro-1H-imidazole

G Kenneth Windler; Brian L Scott; Neil C Tomson; Philip W Leonard

doi:10.1107/S2056989015013432

Crystal structure of 4,5-di-nitro-1H-imidazole

Acta Crystallogr E Crystallogr Commun. 2015 Aug 6;71(Pt 9):o634. doi: 10.1107/S2056989015013432. eCollection 2015 Sep 1.

Authors

G Kenneth Windler¹, Brian L Scott², Neil C Tomson², Philip W Leonard¹

Affiliations

¹ PO Box 1663 MS C920, Los Alamos National Laboratory, Los Alamos, NM 87544, USA.
² PO Box 1663 MS J514, Los Alamos National Laboratory, Los Alamos, NM 87544, USA.

Abstract

The title compound, C3H2N4O4, forms crystals with two mol-ecules in the asymmetric unit which are conformationally similar. With the exception of the O atoms of the nitro groups, the mol-ecules are essentially planar. In the crystal, adjacent mol-ecules are associated by N-H⋯N hydrogen bonds involving the imidazole N-H donors and N-atom acceptors of the unsaturated nitro-gen of neighboring rings, forming layers parallel to (010).

Keywords: 4,5-dinitro-1H-imidazole; crystal structure; hydrogen bonding.