Information card for entry 2208725

Structure parameters

• Common name: N-[(R)-1-Phenylethyl]thiobenzamide
• Chemical name: N-[(R)-1-Phenylethyl]thiobenzamide
• Formula: C15 H15 N S
• Calculated formula: C15 H15 N S
• SMILES: S=C(N[C@@H](c1ccccc1)C)c1ccccc1
• Title of publication: <i>N</i>-[(<i>R</i>)-1-Phenylethyl]thiobenzamide
• Authors of publication: Zhong-Lin Lu; Hoong-Kun Fun; Suchada Chantrapromma; R. Stan Brown
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1513 - o1515
• a: 10.4149 ± 0.0003 Å
• b: 15.0106 ± 0.0005 Å
• c: 16.311 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2549.96 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes