Information card for entry 2232373

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(Ethane-1,2-diyldi-<i>o</i>-phenylene)bis(pyridine- 2-carboxamide)
• Formula: C26 H22 N4 O2
• Calculated formula: C26 H22 N4 O2
• SMILES: O=C(c1ccccn1)Nc1ccccc1CCc1ccccc1NC(=O)c1ccccn1
• Title of publication: <i>N</i>,<i>N</i>'-(Ethane-1,2-diyldi-<i>o</i>-phenylene)bis(pyridine-2-carboxamide)
• Authors of publication: Sarkar, Shuranjan; Lee, Hong-In
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2988
• a: 5.9548 ± 0.0005 Å
• b: 11.9548 ± 0.001 Å
• c: 14.8133 ± 0.0012 Å
• α: 90°
• β: 91.429 ± 0.002°
• γ: 90°
• Cell volume: 1054.21 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes