Information card for entry 2230643

Structure parameters

• Chemical name: Imidazo[1,2-<i>b</i>]isoquinoline-5,10-dione
• Formula: C11 H6 N2 O2
• Calculated formula: C11 H6 N2 O2
• SMILES: O=C1c2c(C(=O)n3ccnc13)cccc2
• Title of publication: Imidazo[1,2-<i>b</i>]isoquinoline-5,10-dione
• Authors of publication: N. Al-Mohammed, Nassir; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1666
• a: 7.6518 ± 0.0007 Å
• b: 7.2469 ± 0.0006 Å
• c: 15.5197 ± 0.0013 Å
• α: 90°
• β: 99.947 ± 0.001°
• γ: 90°
• Cell volume: 847.66 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes