Information card for entry 7239953

Structure parameters

• Chemical name: 2-cyclopropyl-1-phenyl-1H-benzoimidazole
• Formula: C16 H14 N2
• Calculated formula: C16 H14 N2
• Title of publication: A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates
• Authors of publication: Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 1894 - 1905
• a: 10.388 ± 0.0004 Å
• b: 10.8621 ± 0.0004 Å
• c: 11.9356 ± 0.0004 Å
• α: 103.368 ± 0.001°
• β: 111.316 ± 0.001°
• γ: 90.267 ± 0.001°
• Cell volume: 1214.77 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No