Information card for entry 2201393

Structure parameters

• Common name: 2-(2'-Nitrophenyl)-4,5-benz-1,3-oxazin-6-one
• Chemical name: 2-(2'-Nitrophenyl)-4,5-benz-1,3-oxazin-6-one
• Formula: C14 H8 N2 O4
• Calculated formula: C14 H8 N2 O4
• SMILES: c1cccc2c1c(=O)oc(c1ccccc1N(=O)=O)n2
• Title of publication: 2-(2-Nitrophenyl)-4,5-benz-1,3-oxazin-6-one
• Authors of publication: Yadav, Bishwa Nath; Prasad, Shambhu; Prasad, Satya Murti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1111 - o1112
• a: 4.1824 ± 0.0006 Å
• b: 22.191 ± 0.002 Å
• c: 12.767 ± 0.001 Å
• α: 90°
• β: 93.26 ± 0.01°
• γ: 90°
• Cell volume: 1183 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes