Information card for entry 2232671

Structure parameters

• Chemical name: 1-Benzoyl-3-(naphthalen-1-yl)thiourea
• Formula: C18 H14 N2 O S
• Calculated formula: C18 H14 N2 O S
• SMILES: S=C(NC(=O)c1ccccc1)Nc1cccc2c1cccc2
• Title of publication: 1-Benzoyl-3-(naphthalen-1-yl)thiourea
• Authors of publication: Saeed, Sohail; Rashid, Naghmana; Jasinski, Jerry P.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3187
• a: 9.7368 ± 0.0014 Å
• b: 5.2256 ± 0.001 Å
• c: 28.619 ± 0.004 Å
• α: 90°
• β: 92.126 ± 0.012°
• γ: 90°
• Cell volume: 1455.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1107
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes