Information card for entry 2016426

Structure parameters

• Chemical name: (±)-2-(1,3-benzodioxol-5-yl))-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one
• Formula: C23 H20 N2 O3
• Calculated formula: C23 H20 N2 O3
• SMILES: C1(c2cc3c(cc2)OCO3)NC(=O)c2c(cccc2)N1CCc1ccccc1
• 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: 29.84 ± 0.005 Å
• b: 6.6467 ± 0.001 Å
• c: 20.587 ± 0.003 Å
• α: 90°
• β: 109.529 ± 0.002°
• γ: 90°
• Cell volume: 3848.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1039
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes