Information card for entry 2236910

Structure parameters

• Chemical name: 1-Benzoyl-3-(4-chlorophenyl)thiourea dichloromethane hemisolvate
• Formula: C14.5 H12 Cl2 N2 O S
• Calculated formula: C14.5 H12 Cl2 N2 O S
• Title of publication: 1-Benzoyl-3-(4-chlorophenyl)thiourea dichloromethane hemisolvate
• Authors of publication: Selvakumaran, N.; Sheeba, M. Mary; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3313
• a: 20.08 ± 0.0004 Å
• b: 16.0136 ± 0.0002 Å
• c: 10.3752 ± 0.0002 Å
• α: 90°
• β: 117.69 ± 0.003°
• γ: 90°
• Cell volume: 2954.1 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes