Information card for entry 2004551

Structure parameters

• Chemical name: 4-Aza-9(10H)-acridone
• Formula: C12 H8 N2 O
• Calculated formula: C12 H8 N2 O
• SMILES: O=C1c2ccccc2Nc2ncccc12
• Title of publication: 4-Aza-9(10<i>H</i>)-acridone
• Authors of publication: Clark, G. R.; Squire, C. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 366 - 368
• a: 4.8061 ± 0.001 Å
• b: 13.262 ± 0.004 Å
• c: 14.195 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 904.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections: 0.2109
• Weighted residual factors for significantly intense reflections: 0.1637
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.178
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No