Information card for entry 2226662

Structure parameters

• Chemical name: (<i>E</i>)-3-[4-(Dimethylamino)benzylidene]-2,3-dihydro- 1<i>H</i>,9<i>H</i>-pyrrolo[2,1-<i>b</i>]quinazolin-9-one
• Formula: C20 H19 N3 O
• Calculated formula: C20 H19 N3 O
• SMILES: O=c1c2c(nc3C(=C\c4ccc(N(C)C)cc4)\CCn13)cccc2
• Title of publication: (<i>E</i>)-3-[4-(Dimethylamino)benzylidene]-2,3-dihydro-1<i>H</i>,9<i>H</i>-pyrrolo[2,1-<i>b</i>]quinazolin-9-one
• Authors of publication: Elmuradov, Burkhon Zh.; Okmanov, Rasul Ya.; Abdurazakov, Asqar Sh.; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusnutdin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1592
• a: 8.803 ± 0.0018 Å
• b: 16.415 ± 0.003 Å
• c: 11.463 ± 0.002 Å
• α: 90°
• β: 105.05 ± 0.03°
• γ: 90°
• Cell volume: 1599.6 ± 0.6 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 1 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: 0.0859
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes