Information card for entry 7100858

Structure parameters

• Common name: Isonicotinamide-N-oxide
• Formula: C6 H6 N2 O2
• Calculated formula: C6 H6 N2 O2
• SMILES: O=n1ccc(cc1)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: 13.467 ± 0.003 Å
• b: 11.722 ± 0.003 Å
• c: 3.737 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 589.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No