Information card for entry 2225191

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Diethylamino-2-hydroxybenzylideneamino)benzonitrile
• Formula: C18 H19 N3 O
• Calculated formula: C18 H19 N3 O
• SMILES: Oc1c(ccc(N(CC)CC)c1)/C=N/c1c(cccc1)C#N
• Title of publication: (<i>E</i>)-2-(4-Diethylamino-2-hydroxybenzylideneamino)benzonitrile
• Authors of publication: Wang, Xing-Cong; Xu, Hua; Qian, Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o528
• a: 7.185 ± 0.005 Å
• b: 12.324 ± 0.009 Å
• c: 18.49 ± 0.012 Å
• α: 90°
• β: 108.39 ± 0.02°
• γ: 90°
• Cell volume: 1553.6 ± 1.9 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: 0.1003
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes