Information card for entry 2217746

Structure parameters

• Chemical name: 3-(2-Hydroxybenzylideneamino)benzonitrile
• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• SMILES: N(=C\c1ccccc1O)/c1cc(ccc1)C#N
• Title of publication: 3-(2-Hydroxybenzylideneamino)benzonitrile
• Authors of publication: Xu, Hai-Jun; Gong, Xing-Xuan; Wang, Han
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o638
• a: 26.397 ± 0.005 Å
• b: 3.9211 ± 0.0008 Å
• c: 10.773 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1115.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes