Information card for entry 2228719

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-dicarboxamide
• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: O=C(c1ccc(cc1)C(=O)Nc1ccccn1)Nc1ccccn1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-dicarboxamide
• Authors of publication: Tsai, Ta-Pin; Hsiao, Hui-Lin; Chen, Jhy-Der
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o63
• a: 5.7895 ± 0.0004 Å
• b: 7.8315 ± 0.0006 Å
• c: 8.846 ± 0.0005 Å
• α: 82.906 ± 0.006°
• β: 74.083 ± 0.005°
• γ: 73.695 ± 0.006°
• Cell volume: 369.72 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes