Information card for entry 2210448

Structure parameters

• Chemical name: N-(Benzylaminothiocarbonyl)benzamide
• Formula: C15 H14 N2 O S
• Calculated formula: C15 H14 N2 O S
• SMILES: N(C(=S)NC(=O)c1ccccc1)Cc1ccccc1
• Title of publication: <i>N</i>-(Benzylaminothiocarbonyl)benzamide
• Authors of publication: Sabino, Jose R.; Silvio Cunha; Rodrigo M. Bastos; Vencato, Ivo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3918 - o3920
• a: 30.56 ± 0.007 Å
• b: 6.112 ± 0.002 Å
• c: 17.364 ± 0.004 Å
• α: 90°
• β: 124.4 ± 0.02°
• γ: 90°
• Cell volume: 2676.1 ± 1.4 ų
• Cell temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes