Information card for entry 2204422

Structure parameters

• Chemical name: N-(2-Chlorophenyl)-N-(4-methoxybenzoyl)thiourea
• Formula: C15 H13 Cl N2 O2 S
• Calculated formula: C15 H13 Cl N2 O2 S
• SMILES: Clc1c(NC(=S)NC(=O)c2ccc(OC)cc2)cccc1
• Title of publication: <i>N</i>-(2-Chlorophenyl)-<i>N</i>'-(4-methoxybenzoyl)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: 11
• Pages of publication: o1998 - o1999
• a: 13.438 ± 0.003 Å
• b: 3.9893 ± 0.0009 Å
• c: 27.727 ± 0.006 Å
• α: 90°
• β: 99.508 ± 0.004°
• γ: 90°
• Cell volume: 1466 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes