Information card for entry 4503914

Structure parameters

• Common name: β-2-Salicylideneaniline
• Chemical name: 2-(Phenyliminomethyl)phenol
• Formula: C13 H11 N O
• Calculated formula: C13 H11 N O
• SMILES: c1(ccccc1O)/C=N/c1ccccc1
• Title of publication: Polymorphism inN-Salicylideneaniline Reconsidered
• Authors of publication: Arod, Frédéric; Pattison, Philip; Schenk, Kurt J.; Chapuis, Gervais
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1679
• a: 5.7941 ± 0.0005 Å
• b: 13.0175 ± 0.0014 Å
• c: 13.6171 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1027.07 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No