Crystal structure of 5,6-dinitrobenzimidazole.monohydrate

Hokelek T., DINCER S., KILIC E.

CRYSTAL RESEARCH AND TECHNOLOGY, vol.37, no.10, pp.1138-1142, 2003 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 37 Issue: 10
  • Publication Date: 2003
  • Journal Name: CRYSTAL RESEARCH AND TECHNOLOGY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.1138-1142
  • Hacettepe University Affiliated: Yes

Abstract

The title compound (C7H6N4O5) crystallizes in the monoclinic space group P2(1)/c with a=8.566(1) Angstrom, b=14.493(3) Angstrom, c=7.583(1) Angstrom, beta=87.75(1)degrees, V=940.7(3) Angstrom(3), Z=4, D-x=1.597 g.cm(-3). The structure was solved by direct methods and refined by full-matrix least-squares method (R=0.0696). The title compound consists of an imidazole ring with the two NO, groups and one water molecule. The short inter- molecular N-(HN)-N-... [2.03(5) Angstrom] and O-water-(HO)-O-... [1.98(5) Angstrom] hydrogen bonds are highly effective in holding the molecule in a stable state as a whole.