Information card for entry 2202016

Structure parameters

• Chemical name: N,N'-Di-4-methylphenylpyridine-2,6-dicarboxamide
• Formula: C21 H19 N3 O2
• Calculated formula: C21 H19 N3 O2
• SMILES: O=C(c1cccc(n1)C(=O)Nc1ccc(cc1)C)Nc1ccc(cc1)C
• Title of publication: <i>N,N</i>'-Bis(4-methylphenyl)pyridine-2,6-dicarboxamide
• Authors of publication: Qi, Jian Ying; Yang, Qi Yun; Lam, Kim Hung; Zhou, Zhong Yuan; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o415 - o416
• a: 25.14 ± 0.005 Å
• b: 8.5779 ± 0.0017 Å
• c: 8.5295 ± 0.0017 Å
• α: 90°
• β: 94.46 ± 0.03°
• γ: 90°
• Cell volume: 1833.8 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.1989
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1806
• 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: No