Information card for entry 2209297

Structure parameters

• Chemical name: 5-Chloro-2-(2-hydroxybenzylideneamino)benzonitrile
• Formula: C14 H9 Cl N2 O
• Calculated formula: C14 H9 Cl N2 O
• SMILES: c1(ccccc1/C=N/c1ccc(cc1C#N)Cl)O
• Title of publication: 5-Chloro-2-(2-hydroxybenzylideneamino)benzonitrile
• Authors of publication: Cheng, Kui; Zhu, Hai-Liang; Li, Zhi-Bin; Yan, Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2417 - o2418
• a: 4.706 ± 0.0012 Å
• b: 14.372 ± 0.004 Å
• c: 18.225 ± 0.005 Å
• α: 90°
• β: 91.228 ± 0.004°
• γ: 90°
• Cell volume: 1232.4 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes