Information card for entry 7154465

Structure parameters

• Formula: C21 H25 N3
• Calculated formula: C21 H25 N3
• SMILES: N=C1N(C(=Nc2c1cccc2)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.
• Authors of publication: Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6183 - 6193
• a: 11.8867 ± 0.0003 Å
• b: 12.5284 ± 0.0006 Å
• c: 13.0514 ± 0.0004 Å
• α: 79.096 ± 0.004°
• β: 89.444 ± 0.002°
• γ: 77.23 ± 0.005°
• Cell volume: 1860.29 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No