Information card for entry 2214865

Structure parameters

• Common name: N-(biphenyl-4-carbonyl)-N'-(2-chlorophenyl)thiourea N-(2-chlorophenylcarbamothioyl)biphenyl-4-carboxamide
• Chemical name: <i>N</i>-(Biphenyl-4-carbonyl)-<i>N</i>'-(2-chlorophenyl)thiourea
• Formula: C20 H15 Cl N2 O S
• Calculated formula: C20 H15 Cl N2 O S
• SMILES: Clc1c(NC(=S)NC(=O)c2ccc(c3ccccc3)cc2)cccc1
• Title of publication: <i>N</i>-(Biphenyl-4-carbonyl)-<i>N</i>'-(2-chlorophenyl)thiourea
• Authors of publication: Arif, M. Asyikin M.; Yamin, Bohari M
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3594 - o3594
• a: 9.2448 ± 0.0014 Å
• b: 7.2284 ± 0.0011 Å
• c: 25.934 ± 0.004 Å
• α: 90°
• β: 90.295 ± 0.003°
• γ: 90°
• Cell volume: 1733 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.131
• 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