Information card for entry 1520461

Structure parameters

• Formula: C15 H10 N2 O3
• Calculated formula: C15 H10 N2 O3
• SMILES: C1(=O)C(=C\c2ccc(cc2)N(=O)=O)\c2ccccc2N1
• Title of publication: Nitro oxindole
• Authors of publication: Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2010
• Pages of publication: 1325
• a: 9.9484 ± 0.0011 Å
• b: 7.9134 ± 0.001 Å
• c: 16.013 ± 0.002 Å
• α: 90°
• β: 104.34 ± 0.008°
• γ: 90°
• Cell volume: 1221.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1026
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No