Information card for entry 2007583

Structure parameters

• Chemical name: 2-hydroxyacetophenone anil
• Formula: C14 H13 N O
• Calculated formula: C14 H13 N O
• SMILES: c1(c(cccc1)O)/C(=N/c1ccccc1)C
• Title of publication: Methyl-and Phenyl-Substituted Salicylideneanilines
• Authors of publication: Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1360 - 1362
• a: 5.5431 ± 0.0005 Å
• b: 8.909 ± 0.0006 Å
• c: 45.893 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2266.4 ± 0.3 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.0735
• Goodness-of-fit parameter for significantly intense reflections: 1.0892
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes