Information card for entry 2213407

Structure parameters

• Chemical name: 3-Methyl-1-phenylbenzothieno[3,2-d]imidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione
• Formula: C19 H13 N3 O2 S
• Calculated formula: C19 H13 N3 O2 S
• SMILES: c12ccccc1sc1c2nc2n(c1=O)C(C(=O)N2c1ccccc1)C
• Title of publication: 3-Methyl-1-phenylbenzothieno[3,2-<i>d</i>]imidazo[1,2-<i>a</i>]pyrimidine-2,5(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: Min-Hui Cao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2660 - o2660
• a: 12.6184 ± 0.0018 Å
• b: 11.0787 ± 0.0016 Å
• c: 23.074 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3225.6 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes