Information card for entry 2222229

Structure parameters

• Chemical name: (<i>Z</i>)-2-[(2-Hydroxy-1-naphthyl)methyleneamino]benzonitrile
• Formula: C18 H12 N2 O
• Calculated formula: C18 H12 N2 O
• SMILES: Oc1c(/C=N/c2c(cccc2)C#N)c2c(cccc2)cc1
• Title of publication: (<i>Z</i>)-2-[(2-Hydroxy-1-naphthyl)methyleneamino]benzonitrile
• Authors of publication: Zhou, Jian-Cheng; Zhang, Chuan-Ming; Li, Nai-Xu; Zhang, Zheng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1700
• a: 13.464 ± 0.0013 Å
• b: 7.445 ± 0.0006 Å
• c: 15.409 ± 0.0011 Å
• α: 90°
• β: 116.66 ± 0.006°
• γ: 90°
• Cell volume: 1380.4 ± 0.2 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: 0.1048
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes