Information card for entry 2222436

Structure parameters

• Chemical name: (<i>E</i>)-2-(2,4-Dihydroxybenzylideneamino)benzonitrile
• Formula: C14 H10 N2 O2
• Calculated formula: C14 H10 N2 O2
• SMILES: Oc1cc(O)c(/C=N/c2c(cccc2)C#N)cc1
• Title of publication: (<i>E</i>)-2-(2,4-Dihydroxybenzylideneamino)benzonitrile
• Authors of publication: Liu, Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1502
• a: 13.322 ± 0.003 Å
• b: 5.7505 ± 0.0012 Å
• c: 16.132 ± 0.003 Å
• α: 90°
• β: 108.97 ± 0.03°
• γ: 90°
• Cell volume: 1168.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1294
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes