Information card for entry 2215918

Structure parameters

• Chemical name: <i>N</i>-Butanoyl-<i>N</i>'-(3,4-dichlorophenyl)thiourea
• Formula: C11 H12 Cl2 N2 O S
• Calculated formula: C11 H12 Cl2 N2 O S
• SMILES: Clc1ccc(NC(=S)NC(=O)CCC)cc1Cl
• Title of publication: <i>N</i>-Butanoyl-<i>N</i>'-(3,4-dichlorophenyl)thiourea
• Authors of publication: Yusof, M. Sukeri M.; Saadum, Zati Iwani M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4285 - o4285
• a: 6.0544 ± 0.0012 Å
• b: 10.968 ± 0.002 Å
• c: 11.436 ± 0.002 Å
• α: 110.404 ± 0.003°
• β: 98.028 ± 0.003°
• γ: 104.489 ± 0.003°
• Cell volume: 667.2 ± 0.2 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: 0.0453
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes