Information card for entry 2236845

Structure parameters

• Common name: 2,5-diaminopyridine
• Chemical name: Pyridine-2,5-diamine
• Formula: C5 H7 N3
• Calculated formula: C5 H7 N3
• SMILES: n1c(N)ccc(N)c1
• Title of publication: Pyridine-2,5-diamine
• Authors of publication: Draguta, Sergiu; Khrustalev, Victor N.; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3353
• a: 11.4447 ± 0.0011 Å
• b: 7.1447 ± 0.0007 Å
• c: 12.803 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1046.89 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes