Information card for entry 2221641

Structure parameters

• Chemical name: 3-[4-(Dimethylamino)benzylideneamino]benzonitrile
• Formula: C16 H15 N3
• Calculated formula: C16 H15 N3
• SMILES: N(=C\c1ccc(N(C)C)cc1)/c1cc(ccc1)C#N
• Title of publication: 3-[4-(Dimethylamino)benzylideneamino]benzonitrile
• Authors of publication: Xu, Hai-Jun; Tan, Qin-Ying; Cui, Li-Jing; Qian, Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o945
• a: 6.0924 ± 0.0006 Å
• b: 29.127 ± 0.003 Å
• c: 7.3768 ± 0.0007 Å
• α: 90°
• β: 92.924 ± 0.001°
• γ: 90°
• Cell volume: 1307.3 ± 0.2 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: 0.0432
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes