Information card for entry 7154240

Structure parameters

• Chemical name: Diethyl 2-(2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)malonate
• Formula: C15 H18 N2 O5
• Calculated formula: C15 H18 N2 O5
• Title of publication: A microwave-assisted multicomponent synthesis of substituted 3,4-dihydroquinazolinones.
• Authors of publication: Stevens, Marc Y.; Wieckowski, Krzysztof; Wu, Peng; Sawant, Rajiv T.; Odell, Luke R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2044 - 2054
• a: 7.5151 ± 0.0002 Å
• b: 8.3328 ± 0.0002 Å
• c: 13.0372 ± 0.0004 Å
• α: 88.341 ± 0.002°
• β: 76.984 ± 0.002°
• γ: 67.407 ± 0.001°
• Cell volume: 732.89 ± 0.04 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No