Abstract
The title compound, C11H13N3S, is close to being planar, with a dihedral angle of 9.64 (3)° between the benzene ring and the thiosemicarbazone mean plane, maintained by the presence of π-conjugation in the chain linking the the two systems. In the crystal, N—H⋯S hydrogen bonds form centrosymmetric dimers through a cyclic association [graph-set R 2 2(8)].
Highlights
The title compound, C11H13N3S, is close to being planar, with a dihedral angle of 9.64 (3) between the benzene ring and the thiosemicarbazone mean plane, maintained by the presence of -conjugation in the chain linking the the two systems
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2229)
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 = 291 K; mean (C–C) = 0.004 A; R factor = 0.059; wR factor = 0.174; data-to-parameter ratio = 16.1. The title compound, C11H13N3S, is close to being planar, with a dihedral angle of 9.64 (3) between the benzene ring and the thiosemicarbazone mean plane, maintained by the presence of -conjugation in the chain linking the the two systems. N—HÁ Á ÁS hydrogen bonds form centrosymmetric dimers through a cyclic association [graph-set R22(8)]. Related literature For the biological activity and pharmaceutical properties of thiosemicarbazones and their derivatives, see: Casas et al (2000); Ferrari et al (2000); Murali Krishna et al (2008); Murali Krishna & Hussain Reddy (2009). For hydrogen-bond motifs, see: Bernstein et al (1995). See: Chumakov et al (2006)
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