Information card for entry 1566805

Structure parameters

• Common name: 3-benzyl-2-(pyridin-2-yl)-3H-naphtho[1,2-d]imidazole
• Formula: C23 H17 N3
• Calculated formula: C23 H17 N3
• Title of publication: Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole
• Authors of publication: Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 11.8246 ± 0.0005 Å
• b: 8.7668 ± 0.0004 Å
• c: 16.2183 ± 0.0007 Å
• α: 90°
• β: 90.457 ± 0.002°
• γ: 90°
• Cell volume: 1681.2 ± 0.13 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No