Abstract
The title compound, C5H3N3OS, is almost planar (r.m.s. deviation for the ten non-H atoms = 0.018 Å) and forms an extended layer structure in the (100) plane, held together via hydrogen-bonding interactions between adjacent molecules. Of particular note is the occurrence of RC—H⋯N−=N+=NR interactions between an aromatic C—H group and an azide moiety which, in conjunction with a complementary C—H⋯O=C interaction, forms a nine-membered ring.
Highlights
The title compound, C5H3N3OS, is almost planar (r.m.s. deviation for the ten non-H atoms = 0.018 A ) and forms an extended layer structure in the (100) plane, held together via hydrogen-bonding interactions between adjacent molecules
Of particular note is the occurrence of RC— HÁ Á ÁNÀ N+ NR interactions between an aromatic C—H group and an azide moiety which, in conjunction with a complementary C—HÁ Á ÁO C interaction, forms a ninemembered ring
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK5242)
Summary
Key indicators: single-crystal X-ray study; T = 153 K; mean (C–C) = 0.004 A; R factor = 0.050; wR factor = 0.154; data-to-parameter ratio = 16.0. The title compound, C5H3N3OS, is almost planar (r.m.s. deviation for the ten non-H atoms = 0.018 A ) and forms an extended layer structure in the (100) plane, held together via hydrogen-bonding interactions between adjacent molecules. Of particular note is the occurrence of RC— HÁ Á ÁNÀ N+ NR interactions between an aromatic C—H group and an azide moiety which, in conjunction with a complementary C—HÁ Á ÁO C interaction, forms a ninemembered ring. Related literature For a previous preparation of the title compound, see: Binder et al (1977). See: Arsenyan et al (2008); Elshaarawy & Janiak (2011); Low et al (2009)
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