Information card for entry 7240262

Structure parameters

• Formula: C10 H10 N2
• Calculated formula: C10 H10 N2
• SMILES: n1c(c2ccccc2)c([nH]c1)C
• Title of publication: Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage
• Authors of publication: Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 13815 - 13819
• a: 9.612 ± 0.003 Å
• b: 7.441 ± 0.002 Å
• c: 24.001 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1716.6 ± 0.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No