Information card for entry 2201701

Structure parameters

• Formula: C9 H11 N O3
• Calculated formula: C9 H11 N O3
• SMILES: c1cccc2c1cccn2=O.O.O
• Title of publication: Quinoline <i>N</i>-oxide dihydrate from powder data
• Authors of publication: Ivashevskaja, Svetlana N.; Aleshina, Lyudmila A.; Andreev, Vladimir P.; Nizhnik, Yakov P.; Chernyshev, Vladimir V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o920 - o922
• a: 9.484 ± 0.003 Å
• b: 16.235 ± 0.005 Å
• c: 6.907 ± 0.002 Å
• α: 90°
• β: 118.25 ± 0.02°
• γ: 90°
• Cell volume: 936.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 3.346
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No