Information card for entry 2101614

Structure parameters

• Common name: dipyridylamine
• Chemical name: 2,2'-dipyridylamine
• Formula: C10 H9 N3
• Calculated formula: C10 H9 N3
• SMILES: N(c1ncccc1)c1ncccc1
• Title of publication: Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities
• Authors of publication: Schödel, H.; Näther, C.; Bock, H.; Butenschön, F.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 842 - 853
• a: 8.958 ± 0.001 Å
• b: 8.161 ± 0.001 Å
• c: 24.104 ± 0.001 Å
• α: 90°
• β: 98.98 ± 0.01°
• γ: 90°
• Cell volume: 1740.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.0918
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No