Kaupang Asmund, Görbitz Carl Henrik, Hansen Tore
Department of Chemistry, University of Oslo, PO Box 1033 Blindern, N-0315 Oslo, Norway.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1844-5. doi: 10.1107/S1600536811023774. Epub 2011 Jun 30.
In the mol-ecule of the title compound, C(6)H(9)N(3)O(3)S, at 105 K, the six-membered ring is predominantly found in the chair conformation, with 1.89 (14)% in the boat conformation. In the crystal structure, there are five inter-molecular C-H⋯O=C and C-H⋯O=S contacts less than 2.6 Å, as well as a weak C-H⋯N=N inter-action to the diazo group.
在标题化合物C(6)H(9)N(3)O(3)S的分子中，在105 K时，六元环主要呈椅式构象，船式构象占1.89 (14)%。在晶体结构中，存在5个分子间C-H⋯O=C和C-H⋯O=S接触，距离小于2.6 Å，以及与重氮基团的弱C-H⋯N=N相互作用。
