Information card for entry 8104948

Structure parameters

• Formula: C20 H16 N6
• Calculated formula: C20 H16 N6
• Title of publication: The crystal structure of N 6,N 6′-di(pyridin-2-yl)-[2,2′-bipyridine]-6,6′-diamine, C20H16N6
• Authors of publication: Sun, Yue; Yang, Tianyu; Wang, Wenxiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 9 - 11
• a: 7.6623 ± 0.0004 Å
• b: 11.8206 ± 0.0005 Å
• c: 8.896 ± 0.0004 Å
• α: 90°
• β: 91.825 ± 0.002°
• γ: 90°
• Cell volume: 805.33 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No