Information card for entry 2222871

Structure parameters

• Chemical name: (<i>E</i>)-3-(2-Hydroxy-3-methoxybenzylideneamino)benzonitrile
• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: N(=C\c1c(O)c(ccc1)OC)/c1cc(ccc1)C#N
• Title of publication: (<i>E</i>)-3-(2-Hydroxy-3-methoxybenzylideneamino)benzonitrile
• Authors of publication: Zhou, Jian-Cheng; Zhang, Chuan-Ming; Zhang, Zheng-Yun; Li, Nai-Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2017
• a: 15.476 ± 0.005 Å
• b: 5.9927 ± 0.0019 Å
• c: 15.413 ± 0.007 Å
• α: 90°
• β: 116.127 ± 0.003°
• γ: 90°
• Cell volume: 1283.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes