Information card for entry 7051488

Structure parameters

• Formula: C11 H11 N3 O
• Calculated formula: C11 H11 N3 O
• SMILES: O=C(C(=N\Nc1c(cccc1)C)/C#N)C
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• a: 7.565 ± 0.002 Å
• b: 14.423 ± 0.002 Å
• c: 19.793 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2159.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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