Information card for entry 2210540

Structure parameters

• Chemical name: N,N'-Bis(2-pyridyl)naphthalene-1,4-carboxamide
• Formula: C22 H16 N4 O2
• Calculated formula: C22 H16 N4 O2
• SMILES: O=C(Nc1ncccc1)c1ccc(c2ccccc12)C(=O)Nc1ncccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-pyridyl)naphthalene-1,4-carboxamide
• Authors of publication: Lin-Hai Jing; Shao-Jin Gu; Huan-Xia Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4268 - o4269
• a: 13.6987 ± 0.0003 Å
• b: 9.21 ± 0.0002 Å
• c: 15.1404 ± 0.0004 Å
• α: 90°
• β: 113.091 ± 0.001°
• γ: 90°
• Cell volume: 1757.15 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes