Information card for entry 2226624

Structure parameters

• Chemical name: <i>N</i>-Benzylcarbamothioyl-2-chlorobenzamide
• Formula: C15 H13 Cl N2 O S
• Calculated formula: C15 H13 Cl N2 O S
• SMILES: Clc1ccccc1C(=O)NC(=S)NCc1ccccc1
• Title of publication: <i>N</i>-Benzylcarbamothioyl-2-chlorobenzamide
• Authors of publication: Zheng, Xi; Li, Bo; Wang, Qiang; Guo, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1774
• a: 7.347 ± 0.002 Å
• b: 9.658 ± 0.003 Å
• c: 11.003 ± 0.003 Å
• α: 110.15 ± 0.005°
• β: 90.767 ± 0.003°
• γ: 104.058 ± 0.003°
• Cell volume: 707 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes