Information card for entry 2204516

Structure parameters

• Chemical name: N-(2-Bromophenyl)-N'-(4-methoxybenzoyl)thiourea
• Formula: C15 H13 Br N2 O2 S
• Calculated formula: C15 H13 Br N2 O2 S
• SMILES: Brc1c(NC(=S)NC(=O)c2ccc(OC)cc2)cccc1
• Title of publication: <i>N</i>-(2-Bromophenyl)-<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: o2045 - o2046
• a: 13.576 ± 0.002 Å
• b: 4.0362 ± 0.0006 Å
• c: 27.495 ± 0.004 Å
• α: 90°
• β: 98.621 ± 0.003°
• γ: 90°
• Cell volume: 1489.6 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes