Information card for entry 2241412

Structure parameters

• Chemical name: (<i>E</i>)-(Benzylidene)(pyridin-2-ylmethyl)amine
• Formula: C13 H12 N2
• Calculated formula: C13 H12 N2
• SMILES: n1ccccc1C/N=C/c1ccccc1
• Title of publication: Crystal structure of (<i>E</i>)-(benzylidene)(pyridin-2-ylmethyl)amine
• Authors of publication: Harrypersad, Shane; Foucher, Daniel; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1040
• a: 9.8029 ± 0.0013 Å
• b: 10.4175 ± 0.0013 Å
• c: 11.4984 ± 0.0015 Å
• α: 90°
• β: 115.138 ± 0.004°
• γ: 90°
• Cell volume: 1063 ± 0.2 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes