Information card for entry 7155206

Structure parameters

• Chemical name: 7,8-dimethyl-11H-benzo[4,5]imidazo[1,2-a]indol-11-one
• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: C1(=O)c2nc3cc(c(cc3n2c2ccccc12)C)C
• Title of publication: Chemoselective acylation of benzimidazoles with phenylacetic acids under different Cu catalysts to give fused five-membered N-heterocycles or tertiary amides.
• Authors of publication: Mai, Shaoyu; Zhao, Yingwei; Song, Qiuling
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 37
• Pages of publication: 8685 - 8690
• a: 7.0964 ± 0.0005 Å
• b: 11.9998 ± 0.0008 Å
• c: 14.4434 ± 0.0011 Å
• α: 90°
• β: 98.551 ± 0.006°
• γ: 90°
• Cell volume: 1216.26 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.0793
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No