Information card for entry 2225924

Structure parameters

• Chemical name: (<i>E</i>)-3-Propoxymethylidene-2,3-dihydro-1<i>H</i>- pyrrolo[2,1-<i>b</i>]quinazolin-9-one monohydrate
• Formula: C15 H18 N2 O3
• Calculated formula: C15 H18 N2 O3
• Title of publication: (<i>E</i>)-3-Propoxymethylidene-2,3-dihydro-1<i>H</i>-pyrrolo[2,1-<i>b</i>]quinazolin-9-one monohydrate
• Authors of publication: Elmuradov, Burkhon Zh; Turgunov, Kambarali; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusniddin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1238
• a: 9.247 ± 0.002 Å
• b: 6.876 ± 0.001 Å
• c: 10.95 ± 0.002 Å
• α: 90°
• β: 97.9 ± 0.03°
• γ: 90°
• Cell volume: 689.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes