Information card for entry 2020898

Structure parameters

• Common name: 26-DAP
• Chemical name: Pyridine-2,6-diamine
• Formula: C5 H7 N3
• Calculated formula: C5 H7 N3
• SMILES: n1c(N)cccc1N
• Title of publication: A new polymorph of 2,6-diaminopyridine
• Authors of publication: Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 990 - 993
• a: 5.1217 ± 0.0009 Å
• b: 9.8397 ± 0.0014 Å
• c: 21.914 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1104.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes