Information card for entry 2226431

Structure parameters

• Chemical name: 1,3-Dibenzyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
• Formula: C22 H18 N2 O2
• Calculated formula: C22 H18 N2 O2
• SMILES: O=C1c2ccccc2N(C(=O)N1Cc1ccccc1)Cc1ccccc1
• Title of publication: 1,3-Dibenzyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
• Authors of publication: Karimova, Gavhar; Ashurov, Jamshid; Mukhamedov, Nasir; Parpiev, Nusrat A.; Shakhidoyatov, Khusniddin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1547
• a: 17.8989 ± 0.0004 Å
• b: 14.0071 ± 0.0004 Å
• c: 27.7222 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6950.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes