Information card for entry 7151667

Structure parameters

• Common name: 2,5-dichloro-8-formyl-4(4-methoxyphenyl)quinazoline
• Chemical name: 2,5-dichloro-8-formyl-4(4-methoxyphenyl)quinazoline
• Formula: C16 H10 Cl2 N2 O2
• Calculated formula: C16 H10 Cl2 N2 O2
• SMILES: Clc1nc2c(ccc(Cl)c2c(n1)c1ccc(OC)cc1)C=O
• Title of publication: Convergent assembly of structurally diverse quinazolines.
• Authors of publication: Crespo, Abel; Coelho, Alberto; Diz, Paula M.; Fernández, Franco; Novoa de Armas, Hector; Sotelo, Eddy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 351 - 357
• a: 7.753 ± 0.005 Å
• b: 8.285 ± 0.005 Å
• c: 11.93 ± 0.005 Å
• α: 84.628 ± 0.005°
• β: 76.938 ± 0.005°
• γ: 84.323 ± 0.005°
• Cell volume: 740.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No