Information card for entry 2216265

Structure parameters

• Chemical name: N-(3-Iodophenyl)-N'-(2-methylbenzoyl)thiourea
• Formula: C15 H13 I N2 O S
• Calculated formula: C15 H13 I N2 O S
• SMILES: Ic1cc(NC(=S)NC(=O)c2c(cccc2)C)ccc1
• Title of publication: <i>N</i>-(3-Iodophenyl)-<i>N</i>'-(2-methylbenzoyl)thiourea
• Authors of publication: Yusof, M. Sukeri M.; Ahmad Mushtari, Nurwahyuni; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4709 - o4709
• a: 6.525 ± 0.003 Å
• b: 10.249 ± 0.005 Å
• c: 11.589 ± 0.005 Å
• α: 78.093 ± 0.007°
• β: 87.915 ± 0.007°
• γ: 88.072 ± 0.007°
• Cell volume: 757.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes