Information card for entry 2207608

Structure parameters

• Chemical name: 2-(4-Hydroxy-3-methoxyphenyl)-1-phenethyl-1,2-dihydroquinazolin-4(3H)-one
• Formula: C23 H22 N2 O3
• Calculated formula: C23 H22 N2 O3
• SMILES: C1(c2ccc(c(c2)OC)O)NC(=O)c2c(cccc2)N1CCc1ccccc1
• Title of publication: 2-(4-Hydroxy-3-methoxyphenyl)-1-phenethyl-1,2-dihydroquinazolin-4(3<i>H</i>)-one
• Authors of publication: G. Y. S. K. Swamy; K. Ravikumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4238 - o4240
• a: 36.113 ± 0.005 Å
• b: 6.8124 ± 0.0009 Å
• c: 15.931 ± 0.002 Å
• α: 90°
• β: 105.504 ± 0.002°
• γ: 90°
• Cell volume: 3776.7 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1115
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes