Information card for entry 2238765

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-4-phenyl-1,2-dihydroquinazoline
• Formula: C20 H15 Cl N2
• Calculated formula: C20 H15 Cl N2
• SMILES: c1(ccc(cc1)C1Nc2c(C(=N1)c1ccccc1)cccc2)Cl
• Title of publication: 2-(4-Chlorophenyl)-4-phenyl-1,2-dihydroquinazoline
• Authors of publication: Derabli, Chamseddine; Boulcina, Raouf; Bouacida, Sofiane; Merazig, Hocine; Debache, Abdelmadjid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1653 - o1654
• a: 9.2563 ± 0.001 Å
• b: 10.6283 ± 0.0011 Å
• c: 17.623 ± 0.0019 Å
• α: 90°
• β: 116.775 ± 0.007°
• γ: 90°
• Cell volume: 1547.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No