Information card for entry 7100861

Structure parameters

• Common name: Pyridine-2-carboxamide-N-oxide
• Formula: C6 H6 N2 O2
• Calculated formula: C6 H6 N2 O2
• SMILES: O=n1c(cccc1)C(=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: 12.94 ± 0.003 Å
• b: 7.3496 ± 0.0019 Å
• c: 13.087 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1244.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No