Information card for entry 2220711

Structure parameters

• Chemical name: 3-Chloro-<i>N</i>-(diphenylcarbamothioyl)benzamide
• Formula: C20 H15 Cl N2 O S
• Calculated formula: C20 H15 Cl N2 O S
• SMILES: Clc1cc(C(=O)NC(=S)N(c2ccccc2)c2ccccc2)ccc1
• Title of publication: 3-Chloro-<i>N</i>-(diphenylcarbamothioyl)benzamide
• Authors of publication: Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o351 - o352
• a: 8.196 ± 0.005 Å
• b: 10.357 ± 0.006 Å
• c: 11.699 ± 0.006 Å
• α: 72.565 ± 0.01°
• β: 70.495 ± 0.01°
• γ: 71.303 ± 0.01°
• Cell volume: 865.8 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes