5-Iodobenzofurazan 1-oxide: Polymorphs, pseudosymmetry and disorder

Doyle Britton, Wayland E. Noland, Christopher M. Clark

Research output: Contribution to journalArticle

8 Scopus citations

Abstract

5-Iodo-benzofurazan 1-oxide (systematic name: 5-iodo-benzo-1,2,5-oxadiazole 1-oxide), C6H3IN2O2, occurs in two polymorphic forms, both monoclinic in P21/c with Z′ = 2. The inter-molecular inter-actions in the two polymorphs are quite different. In polymorph (I), there are strong inter-molecular I⋯O inter-actions, with I⋯O distances of 3.114 (8) and 3.045 (8) Å. In polymorph (II), there are strong inter-mol-ecular I⋯N inter-actions, with I⋯N distances of 3.163 (4) and 3.175 (5) Å. In (I), there is about 15% disorder in one mol-ecule and about 5% in the other. In both polymorphs, there are pseudosymmetric relationships between the crystal-log-raphically independent mol-ecules.

Original languageEnglish (US)
JournalActa Crystallographica Section C: Crystal Structure Communications
Volume64
Issue number4
DOIs
StatePublished - Mar 15 2008

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