Information card for entry 8101466

Structure parameters

• Formula: C5 H6 N4 O5
• Calculated formula: C5 H6 N4 O5
• SMILES: O=N(=O)Nc1cc[nH+]cc1.O=N(=O)[O-]
• Title of publication: Crystal structure of 4-(nitroamino)pyridinium nitrate, C5H6N3O2+NO3-
• Authors of publication: Meiyappan, Muthuraman; Bagieu-Beucher, Muriel; Le Fur, Yvette
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 201 - 202
• a: 7.724 ± 0.001 Å
• b: 8.6981 ± 0.001 Å
• c: 11.6205 ± 0.0012 Å
• α: 90.008 ± 0.009°
• β: 92.737 ± 0.013°
• γ: 90.012 ± 0.013°
• Cell volume: 779.8 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.043
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No