Information card for entry 2206565

Structure parameters

• Chemical name: N,N'-bis(pyridin-4-ylmethyl)succinamide‒terephthalic acid (1/1)
• Formula: C24 H24 N4 O6
• Calculated formula: C24 H24 N4 O6
• SMILES: OC(=O)c1ccc(cc1)C(=O)O.O=C(NCc1ccncc1)CCC(=O)NCc1ccncc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(pyridin-4-ylmethyl)succinamide‒terephthalic acid (1/1)
• Authors of publication: Clive L. Oliver; Gareth O. Lloyd; Elise J.C. de Vries
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2605 - o2606
• a: 4.8721 ± 0.0013 Å
• b: 9.55 ± 0.003 Å
• c: 11.547 ± 0.003 Å
• α: 96.582 ± 0.004°
• β: 95.944 ± 0.004°
• γ: 94.753 ± 0.004°
• Cell volume: 528.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes