Information card for entry 2217283

Structure parameters

• Chemical name: 1,3-bis(2-pyridylaminomethyl)benzene
• Formula: C18 H18 N4
• Calculated formula: C18 H18 N4
• SMILES: n1ccccc1NCc1cccc(c1)CNc1ncccc1
• Title of publication: A monoclinic polymorph of 1,3-bis(2-pyridylaminomethyl)benzene
• Authors of publication: Zhu, Li-Na; Shan Gao; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o252 - o252
• a: 35.647 ± 0.002 Å
• b: 5.7899 ± 0.0004 Å
• c: 14.9019 ± 0.0009 Å
• α: 90°
• β: 94.074 ± 0.002°
• γ: 90°
• Cell volume: 3067.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes