Information card for entry 2232380

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)terephthalamide; terephthalic acid
• Formula: C26 H20 N4 O6
• Calculated formula: C26 H20 N4 O6
• SMILES: O=C(c1ccc(cc1)C(=O)Nc1cccnc1)Nc1cccnc1.OC(=O)c1ccc(cc1)C(=O)O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)terephthalamide‒terephthalic acid (1/1)
• Authors of publication: Lu, Ji-lin; Liu, Xue-wen; Li, Lin; Chen, Yuan-dao; Shen, Guang-yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3064
• a: 11.0001 ± 0.0003 Å
• b: 10.808 ± 0.0002 Å
• c: 9.6903 ± 0.0002 Å
• α: 90°
• β: 106.83 ± 0.002°
• γ: 90°
• Cell volume: 1102.73 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes