Information card for entry 2220370

Structure parameters

• Chemical name: 4-[(4-Amino-3-pyridyl)iminomethyl]benzonitrile
• Formula: C13 H10 N4
• Calculated formula: C13 H10 N4
• SMILES: n1ccc(N)c(/N=C/c2ccc(cc2)C#N)c1
• Title of publication: 4-[(4-Amino-3-pyridyl)iminomethyl]benzonitrile
• Authors of publication: Fun, Hoong-Kun; Kargar, Hadi; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2342
• a: 13.556 ± 0.0008 Å
• b: 12.3 ± 0.0007 Å
• c: 15.7514 ± 0.0008 Å
• α: 90°
• β: 124.651 ± 0.002°
• γ: 90°
• Cell volume: 2160.5 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.115
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes