Information card for entry 8101375

Structure parameters

• Formula: C5 H8 N3 O6 P
• Calculated formula: C5 H8 N3 O6 P
• SMILES: P(=O)(O)(O)[O-].O=N(=O)c1ccc[nH+]c1N
• Title of publication: Crystal structure of 2-amino-3-nitro-pyridinium dihydrogenmonophosphate, C~5~H~8~N~3~O~6~P
• Authors of publication: Akriche, Samah; Rzaigui, Mohamed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 617 - 618
• a: 9.71 ± 0.003 Å
• b: 9.254 ± 0.001 Å
• c: 10.373 ± 0.006 Å
• α: 90 ± 0.03°
• β: 100.36 ± 0.05°
• γ: 90 ± 0.02°
• Cell volume: 916.9 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No