Information card for entry 2012452

Structure parameters

• Chemical name: 8-hydroxy-5-nitroquinolinium chloride
• Formula: C9 H7 Cl N2 O3
• Calculated formula: C9 H7 Cl N2 O3
• SMILES: [nH+]1cccc2c(ccc(c12)O)N(=O)=O.[Cl-]
• Title of publication: Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride
• Authors of publication: Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o19 - o21
• a: 7.566 ± 0.004 Å
• b: 7.467 ± 0.004 Å
• c: 16.334 ± 0.007 Å
• α: 90°
• β: 92.49 ± 0.03°
• γ: 90°
• Cell volume: 921.9 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.85
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No