Information card for entry 2207562

Structure parameters

• Chemical name: 3-(4-Methylphenyl)-2-morpholinobenzo[4,5]furo[3,2-d]pyrimidin-4(3H)-one
• Formula: C21 H19 N3 O3
• Calculated formula: C21 H19 N3 O3
• SMILES: c1cccc2c1c1c(c(=O)n(c(n1)N1CCOCC1)c1ccc(cc1)C)o2
• Title of publication: 3-(4-Methylphenyl)-2-morpholinobenzo[4,5]furo[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one
• Authors of publication: Yong Sun; Yang-Gen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4233 - o4235
• a: 22.8042 ± 0.0016 Å
• b: 10.9268 ± 0.0008 Å
• c: 17.7465 ± 0.0012 Å
• α: 90°
• β: 125.562 ± 0.001°
• γ: 90°
• Cell volume: 3597.3 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes