Information card for entry 2009018

Structure parameters

• Formula: C13 H10 N2 O3
• Calculated formula: C13 H10 N2 O3
• SMILES: Oc1ccccc1/C=N/c1ccc(N(=O)=O)cc1
• Title of publication: Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives
• Authors of publication: Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1707 - 1710
• a: 12.413 ± 0.002 Å
• b: 5.744 ± 0.002 Å
• c: 15.597 ± 0.003 Å
• α: 90°
• β: 97.69 ± 0.02°
• γ: 90°
• Cell volume: 1102.1 ± 0.5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections: 0.866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No