Information card for entry 2008807

Structure parameters

• Chemical name: N-Benzoyl-N'-methyl-N'-phenyl thiourea
• Formula: C15 H14 N2 O S
• Calculated formula: C15 H14 N2 O S
• SMILES: S=C(NC(=O)c1ccccc1)N(c1ccccc1)C
• Title of publication: N—H···S hydrogen bonding in <i>N</i>-benzoyl-<i>N</i>'-methyl-<i>N</i>'-phenylthiourea and <i>N</i>-benzoyl-<i>N</i>'-(3,4-dimethylphenyl)thiourea
• Authors of publication: S. Shanmuga Sundara Raj; K. Puviarasan; D. Velmurugan; G. Jayanthi; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1318 - 1320
• a: 8.4551 ± 0.0002 Å
• b: 8.9044 ± 0.0002 Å
• c: 10.7293 ± 0.0003 Å
• α: 91.142 ± 0.001°
• β: 107.437 ± 0.001°
• γ: 113.035 ± 0.001°
• Cell volume: 700.5 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No