Information card for entry 2239979

Structure parameters

• Chemical name: 4,4-Dibutyl-2-phenyl-3,4-dihydroquinazoline
• Formula: C22 H28 N2
• Calculated formula: C22 H28 N2
• SMILES: C1(c2c(cccc2)N=C(c2ccccc2)N1)(CCCC)CCCC
• Title of publication: Crystal structure of 4,4-dibutyl-2-phenyl-3,4-dihydroquinazoline
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1100
• a: 19.2953 ± 0.0008 Å
• b: 9.9889 ± 0.0003 Å
• c: 9.6341 ± 0.0004 Å
• α: 90°
• β: 96.667 ± 0.004°
• γ: 90°
• Cell volume: 1844.31 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes