Abstract
In the title compound, C6H16N+·C15H13N2O2S2 −, the thione S atom is in a cis configuration with respect to the phenyl and benzene rings, while it adopts a trans configuration with respect to the carbonyl group. The dihedral angle between the benzene and phenyl rings is 78.81 (2)°. The molecular conformation is stabilized by intramolecular O—H⋯O and N—H⋯S hydrogen bonds, while intermolecular N—H⋯O, N—H⋯N and weak C—H⋯O interactions help to stabilize the crystal structure.
Highlights
C6H16N+ÁC15H13N2O2S2À, the thione S atom is in a cis configuration with respect to the phenyl and benzene rings, while it adopts a trans configuration with respect to the carbonyl group
The molecular conformation is stabilized by intramolecular O—HÁ Á ÁO and N—HÁ Á ÁS hydrogen bonds, while intermolecular N—HÁ Á ÁO, N—HÁ Á ÁN and weak C—HÁ Á ÁO interactions help to stabilize the crystal structure
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.005 A; R factor = 0.056; wR factor = 0.118; data-to-parameter ratio = 15.3. C6H16N+ÁC15H13N2O2S2À, the thione S atom is in a cis configuration with respect to the phenyl and benzene rings, while it adopts a trans configuration with respect to the carbonyl group. The dihedral angle between the benzene and phenyl rings is 78.81 (2). The molecular conformation is stabilized by intramolecular O—HÁ Á ÁO and N—HÁ Á ÁS hydrogen bonds, while intermolecular N—HÁ Á ÁO, N—HÁ Á ÁN and weak C—HÁ Á ÁO interactions help to stabilize the crystal structure. Crystal data C6H16N+ÁC15H13N2O2S2À Mr = 419.59 Orthorhombic, Pbca a = 10.7109 (4) Ab = 18.6807 (6) Ac = 22.1814 (7) A
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