Information card for entry 2217142

Structure parameters

• Chemical name: N-Butylpyridine-4-thiocarboxamide
• Formula: C10 H14 N2 S
• Calculated formula: C10 H14 N2 S
• SMILES: c1cc(ccn1)C(=S)NCCCC
• Title of publication: <i>N</i>-Butylpyridine-4-thiocarboxamide
• Authors of publication: Kavitha, T.; Revathi, C.; Hemalatha, M.; Dayalan, A.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o114 - o114
• a: 8.0895 ± 0.0003 Å
• b: 13.5947 ± 0.0004 Å
• c: 10.4936 ± 0.0003 Å
• α: 90°
• β: 111.895 ± 0.002°
• γ: 90°
• Cell volume: 1070.79 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes