Information card for entry 2224424

Structure parameters

• Chemical name: (<i>E</i>)-4-[4-(Dimethylamino)benzylideneamino]benzonitrile
• Formula: C16 H15 N3
• Calculated formula: C16 H15 N3
• SMILES: N(=C\c1ccc(N(C)C)cc1)/c1ccc(cc1)C#N
• Title of publication: (<i>E</i>)-4-[4-(Dimethylamino)benzylideneamino]benzonitrile
• Authors of publication: Zhou, Jian-Cheng; Zhang, Zheng-Yun; Li, Nai-Xu; Zhang, Chuan-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3091
• a: 9.733 ± 0.006 Å
• b: 16.159 ± 0.009 Å
• c: 9.103 ± 0.006 Å
• α: 90°
• β: 110.644 ± 0.012°
• γ: 90°
• Cell volume: 1339.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes