Information card for entry 2217328

Structure parameters

• Chemical name: <i>N</i>-(Biphenyl-4-carbonyl)-<i>N</i>'-(4-chlorophenyl)thiourea
• Formula: C20 H15 Cl N2 O S
• Calculated formula: C20 H15 Cl N2 O S
• SMILES: Clc1ccc(NC(=S)NC(=O)c2ccc(c3ccccc3)cc2)cc1
• Title of publication: <i>N</i>-(Biphenyl-4-carbonyl)-<i>N</i>'-(4-chlorophenyl)thiourea
• Authors of publication: Yamin, Bohari M.; Arif, M. Asyikin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o104 - o104
• a: 16.039 ± 0.007 Å
• b: 6.087 ± 0.003 Å
• c: 18.096 ± 0.008 Å
• α: 90°
• β: 94.78 ± 0.008°
• γ: 90°
• Cell volume: 1760.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes