Information card for entry 2011769

Structure parameters

• Chemical name: N,N'-(1,2-phenylene)bis(pyridine-2-carboxamide)
• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: n1ccccc1C(=O)Nc1ccccc1NC(=O)c1ncccc1
• Title of publication: <i>N</i>,<i>N</i>'-(1,2-phenylene)bis(pyridine-2-carboxamide) and <i>N</i>,<i>N</i>'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide) toluene hemisolvate
• Authors of publication: Lin, Jun; Zhang, Jun-Yong; Xu, Yan; Ke, Xiao-Kang; Guo, Zijian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 192 - 194
• a: 12.346 ± 0.002 Å
• b: 5.567 ± 0.001 Å
• c: 22.578 ± 0.006 Å
• α: 90°
• β: 95.2 ± 0.01°
• γ: 90°
• Cell volume: 1545.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.104
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes