Crystal Research and Technology
Cryst. Res. Technol. 37 (2002) 1138 - Abstract -

T. Hökelek, S. Dincer* , E. Kilic*

Hacettepe University, Department of Physics, 06532 Beytepe-Ankara, Turkey
*Ankara University, Department of Chemistry, 06100 Tandogan-Ankara, Turkey

Crystal Structure of 5,6-Dinitrobenzimidazole.monohydrate

The title compound (C7H64O5) crystallizes in the monoclinic space group P21/c with a=8.566(1) Å, b=14.493(3) Å, c=7.583(1) Å, β=87.75(1)º, V=940.7(3) Å3, Z=4, Dx=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 NO2 groups and one water molecule. The short inter-molecular N-H…N [2.03(5) Å] and Owater-H…O [1.98(5) Å] hydrogen bonds are highly effective in holding the molecule in a stable state as a whole.

Keywords: crystal structure, dinitrobenzimidazole, dinitrobenzimidazole, intermolecular hydrogen bonding


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