Information card for entry 1544295

Structure parameters

• Chemical name: (<i>E</i>)-4-Nitro-2-[(phenylimino)methyl]phenol
• Formula: C13 H10 N2 O3
• Calculated formula: C13 H10 N2 O3
• SMILES: c1(ccc(c(c1)/C=N/c1ccccc1)O)N(=O)=O
• Title of publication: (<i>E</i>)-4-Nitro-2-[(phenylimino)methyl]phenol
• Authors of publication: Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.; Panneer Selvam, K.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161595
• a: 8.0774 ± 0.001 Å
• b: 6.5801 ± 0.0006 Å
• c: 21.668 ± 0.003 Å
• α: 90°
• β: 98.24 ± 0.005°
• γ: 90°
• Cell volume: 1139.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes