Information card for entry 2222362

Structure parameters

• Chemical name: (<i>E</i>)-3-(2-Hydroxy-4-methoxybenzylideneamino)benzonitrile
• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: Oc1c(ccc(OC)c1)/C=N/c1cc(ccc1)C#N
• Title of publication: (<i>E</i>)-3-(2-Hydroxy-4-methoxybenzylideneamino)benzonitrile
• Authors of publication: Zhou, Jian-Cheng; Zhang, Zheng-Yun; Zhang, Chuan-Ming; Li, Nai-Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1644
• a: 14.484 ± 0.003 Å
• b: 6.6587 ± 0.0013 Å
• c: 26.461 ± 0.005 Å
• α: 90°
• β: 102.14 ± 0.03°
• γ: 90°
• Cell volume: 2494.9 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes