Information card for entry 7051091

Structure parameters

• Formula: C12 H9 N O
• Calculated formula: C12 H9 N O
• Title of publication: Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds
• Authors of publication: Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 391
• a: 23.255 ± 0.003 Å
• b: 11.484 ± 0.002 Å
• c: 6.936 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1852 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No