Information card for entry 2204072

Structure parameters

• Chemical name: N'-Benzoyl-N-(o-cholorophenyl)thiourea
• Formula: C14 H11 Cl N2 O S
• Calculated formula: C14 H11 Cl N2 O S
• SMILES: S=C(NC(=O)c1ccccc1)Nc1ccccc1Cl
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>'-(2-chlorophenyl)thiourea
• Authors of publication: M. Sukeri M. Yusof; Bohari M. Yamin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1403 - o1404
• a: 8.1435 ± 0.0008 Å
• b: 12.3788 ± 0.0013 Å
• c: 13.2782 ± 0.0014 Å
• α: 90°
• β: 95.332 ± 0.002°
• γ: 90°
• Cell volume: 1332.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.113
• 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