Information card for entry 1557071

Structure parameters

• Common name: N(6)-Methyladeninium dinitrate
• Formula: C6 H9 N7 O6
• Calculated formula: C6 N7 O6
• SMILES: [nH+]1cnc2[nH+]c[nH]c2c1NC.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Crystal Structures of N(6),N(6)-Dimethyladeninium Trichloroacetate and N(6)-Methyladeninium Dinitrate.
• Authors of publication: Dahl, Tor; Rasmussen, Inge
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 19 - 23
• a: 6.428 ± 0.002 Å
• b: 20.269 ± 0.002 Å
• c: 16.918 ± 0.002 Å
• α: 90°
• β: 98.56 ± 0.02°
• γ: 90°
• Cell volume: 2179.7 ± 0.8 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CUKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No