Information card for entry 7063115

Structure parameters

• Formula: C16 H12 Cl N O
• Calculated formula: C16 H12 Cl N O
• SMILES: Clc1cc2c(nc(c3ccc(OC)cc3)cc2)cc1
• Title of publication: Ruthenium complexes of redox non-innocent aryl-azo-oximes for catalytic α-alkylation of ketones and synthesis of 2-substituted quinolines
• Authors of publication: Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 8181 - 8194
• a: 6.223 ± 0.0007 Å
• b: 7.3093 ± 0.0008 Å
• c: 28.66 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1303.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No