Information card for entry 7100862

Structure parameters

• Common name: Pyrazinamide-4-N-oxide
• Formula: C5 H5 N3 O2
• Calculated formula: C5 H5 N3 O2
• SMILES: n1ccn(=O)cc1C(=O)N
• Title of publication: Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals
• Authors of publication: A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 5.403 ± 0.003 Å
• b: 7.508 ± 0.004 Å
• c: 14.978 ± 0.008 Å
• α: 96.838 ± 0.009°
• β: 97.094 ± 0.009°
• γ: 102.822 ± 0.009°
• Cell volume: 581.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No