Information card for entry 2231889

Structure parameters

• Chemical name: Methyl <i>N</i>-(4-chlorophenyl)carbamate
• Formula: C8 H8 Cl N O2
• Calculated formula: C8 H8 Cl N O2
• SMILES: Clc1ccc(NC(=O)OC)cc1
• Title of publication: Methyl <i>N</i>-(4-chlorophenyl)carbamate
• Authors of publication: Li, Yu-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2750
• a: 11.126 ± 0.002 Å
• b: 9.833 ± 0.002 Å
• c: 8.0076 ± 0.0016 Å
• α: 90°
• β: 99.34 ± 0.03°
• γ: 90°
• Cell volume: 864.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes