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5-Iodobenzofurazan 1-oxide: polymorphs, pseudosymmetry and disorder
Doyle Britton1, Wayland E Noland, Christopher M Clark
1Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA. britton@chem.umn.edu
Abstract:
5-Iodobenzofurazan 1-oxide (systematic name: 5-iodobenzo-1,2,5-oxadiazole 1-oxide), C(6)H(3)IN(2)O(2), occurs in two polymorphic forms, both monoclinic in P2(1)/c with Z' = 2. The intermolecular interactions in the two polymorphs are quite different. In polymorph (I), there are strong intermolecular I...O interactions, with I...O distances of 3.114 (8) and 3.045 (8) A. In polymorph (II), there are strong intermolecular I...N interactions, with I...N distances of 3.163 (4) and 3.175 (5) A. In (I), there is about 15% disorder in one molecule and about 5% in the other. In both polymorphs, there are pseudosymmetric relationships between the crystallographically independent molecules.
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