Information card for entry 2242122

Structure parameters

• Chemical name: 5-Chloropyridine-2,3-diamine
• Formula: C5 H6 Cl N3
• Calculated formula: C5 H6 Cl N3
• SMILES: Clc1cnc(N)c(N)c1
• Title of publication: Crystallographic and spectroscopic characterization of 5-chloropyridine-2,3-diamine
• Authors of publication: Sulovari, Aron; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1213 - 1217
• a: 3.7565 ± 0.0008 Å
• b: 8.7002 ± 0.0017 Å
• c: 18.35 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 599.7 ± 0.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes