Information card for entry 2213647

Structure parameters

• Chemical name: 4-Methyl-N-phenylpiperidine-1-thioamide
• Formula: C13 H18 N2 S
• Calculated formula: C13 H18 N2 S
• SMILES: S=C(Nc1ccccc1)N1CCC(CC1)C
• Title of publication: 4-Methyl-<i>N</i>-phenylpiperidine-1-thioamide
• Authors of publication: Li-You Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2848 - o2848
• a: 11.654 ± 0.006 Å
• b: 11.335 ± 0.006 Å
• c: 9.711 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1282.8 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes