Information card for entry 2241342

Structure parameters

• Chemical name: Phenyl <i>N</i>-(4-nitrophenyl)carbamate
• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• SMILES: O=N(=O)c1ccc(NC(=O)Oc2ccccc2)cc1
• Title of publication: Crystal structure of phenyl <i>N</i>-(4-nitrophenyl)carbamate
• Authors of publication: AaminaNaaz, Y.; Sathiyaraj, Subramaniyan; Kalaimani, Sundararaj; Nasar, A. Sultan; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o969 - o970
• a: 9.6722 ± 0.0003 Å
• b: 10.2543 ± 0.0005 Å
• c: 12.4787 ± 0.0006 Å
• α: 84.625 ± 0.003°
• β: 79.386 ± 0.003°
• γ: 77.955 ± 0.003°
• Cell volume: 1187.73 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes