Information card for entry 2221666

Structure parameters

• Chemical name: 4-Amino-5-(2-hydroxybenzylideneamino)benzene-1,2-dicarbonitrile
• Formula: C15 H10 N4 O
• Calculated formula: C15 H10 N4 O
• SMILES: C(=N\c1cc(c(cc1N)C#N)C#N)/c1c(cccc1)O
• Title of publication: 4-Amino-5-(2-hydroxybenzylideneamino)benzene-1,2-dicarbonitrile
• Authors of publication: Cheng, Yan; Gao, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o963
• a: 14.0158 ± 0.0015 Å
• b: 12.365 ± 0.0013 Å
• c: 7.3557 ± 0.0008 Å
• α: 90°
• β: 99.904 ± 0.002°
• γ: 90°
• Cell volume: 1255.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0839
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes