Information card for entry 7204411

Structure parameters

• Common name: N-2-[5'-bromosalicylideneimino)benzyl]-5''-bromosalicylideneimine
• Chemical name: N-2-[5'-bromosalicylideneimino)benzyl]-5''-bromosalicylideneimine
• Formula: C21 H16 Br2 N2 O2
• Calculated formula: C21 H16 Br2 N2 O2
• SMILES: Brc1ccc(c(/C=N/Cc2c(cccc2)/N=C/c2c(O)ccc(Br)c2)c1)O
• Title of publication: Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines
• Authors of publication: Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.
• Journal of publication: Green Chemistry
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 245
• a: 24.8822 ± 0.0008 Å
• b: 4.6291 ± 0.0002 Å
• c: 16.5755 ± 0.0005 Å
• α: 90°
• β: 106.263 ± 0.002°
• γ: 90°
• Cell volume: 1832.81 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1609
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No