Information card for entry 2222330

Structure parameters

• Chemical name: Phenyl <i>N</i>-(2-methylphenyl)carbamate
• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: O(c1ccccc1)C(=O)Nc1c(cccc1)C
• Title of publication: Phenyl <i>N</i>-(2-methylphenyl)carbamate
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Ahmad, Naeem; Yasmeen, Asma; Ullah, Saif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1629
• a: 10.5736 ± 0.0009 Å
• b: 18.5414 ± 0.0014 Å
• c: 5.9681 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1170.04 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes