Information card for entry 8101692

Structure parameters

• Chemical name: 2-aminomethylepyridine-nitrate
• Formula: C6 H9 N3 O3
• Calculated formula: C6 H9 N3 O3
• SMILES: n1ccccc1C[NH3+].N(=O)(=O)[O-]
• Title of publication: Crystal structure of pyridyl-2-methylammonium nitrate, (C~6~H~9~N~2~) NO~3~
• Authors of publication: A. R. Mahjoub; A. Morsali; S. Nouryan Aval
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 45 - 46
• a: 8.2341 ± 0.0015 Å
• b: 10.4212 ± 0.0019 Å
• c: 9.3945 ± 0.0017 Å
• α: 90°
• β: 105.366 ± 0.003°
• γ: 90°
• Cell volume: 777.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No