Information card for entry 7130084

Structure parameters

• Formula: C15 H11 Cl N2 O
• Calculated formula: C15 H11 Cl N2 O
• SMILES: c1c(cccc1C(=O)Cn1cc2c(cccc2)n1)Cl
• Title of publication: TfOH-catalyzed regioselective N2-alkylation of indazoles with diazo compounds
• Authors of publication: He, Hangli; Yan, Jingyu; Jin, Jingru; Yan, Zhewei; Yan, Qiongjiao; Wang, Wei; Jiang, Haipeng; Wang, Haifeng; Chen, Fener
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.134 ± 0.003 Å
• b: 8.219 ± 0.003 Å
• c: 19.46 ± 0.008 Å
• α: 90°
• β: 101.5 ± 0.009°
• γ: 90°
• Cell volume: 1274.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1031
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No