Information card for entry 2200146

Structure parameters

• Chemical name: (E)-1-Benzyl-2-(p-methoxystyryl)-3-(p-tolyl)-1,2,3,4-tetrahydroquinazolin-4-one
• Formula: C31 H28 N2 O2
• Calculated formula: C31 H28 N2 O2
• SMILES: O=C1N(C(N(c2c1cccc2)Cc1ccccc1)\C=C\c1ccc(OC)cc1)c1ccc(C)cc1
• Title of publication: (<i>E</i>)-1-Benzyl-2-(<i>p</i>-methoxystyryl)-3-(<i>p</i>-tolyl)-1,2,3,4-tetrahydroquinazolin-4-one
• Authors of publication: Mukherjee, Monika; Maiti, Susim; Chaudhuri, Gopeswar; Helliwell, Madeleine; Kundu, Nitya G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o247 - o249
• a: 13.281 ± 0.003 Å
• b: 11.161 ± 0.002 Å
• c: 17.756 ± 0.003 Å
• α: 90°
• β: 107.49 ± 0.01°
• γ: 90°
• Cell volume: 2510.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes