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Crystal Structure of 5,6‐Dinitrobenzimidazole.monohydrate
Author(s) -
Hökelek T.,
Dinçer S.,
Kiliç E.
Publication year - 2002
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200210)37:10<1138::aid-crat1138>3.0.co;2-h
Subject(s) - monoclinic crystal system , imidazole , crystallography , molecule , hydrogen bond , ring (chemistry) , crystal structure , chemistry , group (periodic table) , crystal (programming language) , stereochemistry , organic chemistry , computer science , programming language
The title compound (C 7 H 6 N 4 O 5 ) crystallizes in the monoclinic space group P2 1 /c with a=8.566(1) Å, b=14.493(3) Å, c=7.583(1) Å, β=87.75(1)°, V=940.7(3) Å 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 2 groups and one water molecule. The short inter‐ molecular N‐H … N [2.03(5) Å] and O water ‐H … O [1.98(5) Å] hydrogen bonds are highly effective in holding the molecule in a stable state as a whole.