Information card for entry 2206223

Structure parameters

• Chemical name: N-(Pyridin-2-yl)hydrazinecarbothioamide
• Formula: C6 H8 N4 S
• Calculated formula: C6 H8 N4 S
• SMILES: S=C(Nc1ncccc1)NN
• Title of publication: <i>N</i>-(Pyridin-2-yl)hydrazinecarbothioamide
• Authors of publication: P. F. Rapheal; E. Manoj; M. R. Prathapachandra Kurup; E. Suresh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2243 - o2245
• a: 15.5846 ± 0.0017 Å
• b: 10.1592 ± 0.0011 Å
• c: 11.1622 ± 0.0012 Å
• α: 90°
• β: 121.118 ± 0.002°
• γ: 90°
• Cell volume: 1513 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes