Information card for entry 2225413

Structure parameters

• Chemical name: 9-Furfurylidene-2,3-dimethyl-6,7,8,9-tetrahydro-4<i>H</i>-thieno[2',3':4,5]pyrimidino[1,2-<i>a</i>]pyridin-4-one
• Formula: C17 H16 N2 O2 S
• Calculated formula: C17 H16 N2 O2 S
• SMILES: Cc1c(C)sc2c1c(=O)n1c(n2)/C(=C/c2ccco2)CCC1
• Title of publication: 9-Furfurylidene-2,3-dimethyl-6,7,8,9-tetrahydro-4<i>H</i>-thieno[2',3':4,5]pyrimidino[1,2-<i>a</i>]pyridin-4-one
• Authors of publication: Bozorov, Khurshed A.; Elmuradov, Burkhon Zh.; Okmanov, Rasul Ya.; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusnutdin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o552 - o553
• a: 16.569 ± 0.003 Å
• b: 11.034 ± 0.002 Å
• c: 8.2775 ± 0.0017 Å
• α: 90°
• β: 93.12 ± 0.03°
• γ: 90°
• Cell volume: 1511.1 ± 0.5 ų
• Cell temperature: 295 ± 1 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
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes