Information card for entry 7100860

Structure parameters

• Common name: 1:0.5 complex of phenobarbital and bipyridine-bis-N-oxide
• Formula: C17 H16 N3 O4
• Calculated formula: C17 H16 N3 O4
• 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: 10.3768 ± 0.0012 Å
• b: 15.8728 ± 0.0018 Å
• c: 9.4522 ± 0.0011 Å
• α: 90°
• β: 93.165 ± 0.002°
• γ: 90°
• Cell volume: 1554.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No