Information card for entry 7204413

Structure parameters

• Common name: N-2[(salicylideneimino)benzyl]-salicylideneimine
• Chemical name: N-2[(salicylideneimino)benzyl]-salicylideneimine
• Formula: C21 H18 N2 O2
• Calculated formula: C21 H18 N2 O2
• SMILES: N(=C\c1c(O)cccc1)/Cc1c(/N=C/c2c(O)cccc2)cccc1
• 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: 9.72 ± 0.0002 Å
• b: 14.037 ± 0.0002 Å
• c: 12.2058 ± 0.0001 Å
• α: 90°
• β: 97.056 ± 0.002°
• γ: 90°
• Cell volume: 1652.74 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No