Information card for entry 2211778

Structure parameters

• Chemical name: Ethyl 3-[4-(ethoxycarbonyl)phenyl]-3,4-dihydroquinazoline-6-carboxylate
• Formula: C20 H20 N2 O4
• Calculated formula: C20 H20 N2 O4
• SMILES: CCOC(=O)c1cc2c(cc1)N=CN(C2)c1ccc(cc1)C(=O)OCC
• Title of publication: Ethyl 3-[4-(ethoxycarbonyl)phenyl]-3,4-dihydroquinazoline-6-carboxylate
• Authors of publication: Bhuiyan, M. Delower H.; Clegg, Jack K.; Try, Andrew C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o308 - o310
• a: 19.875 ± 0.009 Å
• b: 7.393 ± 0.003 Å
• c: 11.529 ± 0.005 Å
• α: 90°
• β: 99.622 ± 0.009°
• γ: 90°
• Cell volume: 1670.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes