Information card for entry 2230198

Structure parameters

• Chemical name: Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate
• Formula: C14 H11 Cl F N O2
• Calculated formula: C14 H11 Cl F N O2
• SMILES: Fc1c(Cl)cc(NC(=O)OCc2ccccc2)cc1
• Title of publication: Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate
• Authors of publication: Singh, Manavendra K.; Agarwal, Alka; Awasthi, Satish K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1137
• a: 10.4695 ± 0.0016 Å
• b: 9.0346 ± 0.0011 Å
• c: 28.361 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2682.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes