Information card for entry 2016425

Structure parameters

• Chemical name: (±)-2-(4-methoxyphenyl)-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one
• Formula: C23 H22 N2 O2
• Calculated formula: C23 H22 N2 O2
• SMILES: c12ccccc1C(=O)NC(c1ccc(cc1)OC)N2CCc1ccccc1
• Title of publication: Two quinazolinones: a ring conformational study
• Authors of publication: G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Y. S. Sadanandam
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o80 - o83
• a: 6.7224 ± 0.0015 Å
• b: 10.326 ± 0.002 Å
• c: 14.694 ± 0.003 Å
• α: 109.331 ± 0.004°
• β: 100.233 ± 0.004°
• γ: 90.803 ± 0.004°
• Cell volume: 944.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1897
• 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