Information card for entry 7154499

Structure parameters

• Chemical name: 6-Methyl-2-(methylsulfanyl)-N-(quinolin-8-yl)benzamide
• Formula: C18 H16 N2 O S
• Calculated formula: C18 H16 N2 O S
• SMILES: S(c1c(C(=O)Nc2cccc3cccnc23)c(ccc1)C)C
• Title of publication: Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.
• Authors of publication: Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6803 - 6813
• a: 7.2995 ± 0.0004 Å
• b: 8.9313 ± 0.0004 Å
• c: 23.2132 ± 0.0012 Å
• α: 90°
• β: 90.8321 ± 0.0017°
• γ: 90°
• Cell volume: 1513.2 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No