Information card for entry 2227257

Structure parameters

• Chemical name: <i>N</i>-[(Piperidin-1-yl)carbothioyl]benzamide
• Formula: C13 H16 N2 O S
• Calculated formula: C13 H16 N2 O S
• SMILES: S=C(NC(=O)c1ccccc1)N1CCCCC1
• Title of publication: <i>N</i>-[(Piperidin-1-yl)carbothioyl]benzamide
• Authors of publication: Al-abbasi, Aisha A.; Yarmo, Mohd Ambar; Kassim, Mohammad B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2896
• a: 10.913 ± 0.003 Å
• b: 14.297 ± 0.004 Å
• c: 8.323 ± 0.002 Å
• α: 90°
• β: 102.212 ± 0.006°
• γ: 90°
• Cell volume: 1269.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes