Information card for entry 7133078

Structure parameters

• Formula: C14 H11 N O S2
• Calculated formula: C14 H11 N O S2
• Title of publication: Arylation of benzazoles at the 4 positions by activation of their 2-methylsulfinyl groups.
• Authors of publication: Wakabayashi, Ryota; Wang, Shuo; Kurogi, Takashi; Yorimitsu, Hideki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 48
• Pages of publication: 6166 - 6169
• a: 9.6697 ± 0.0004 Å
• b: 10.5598 ± 0.0004 Å
• c: 13.8151 ± 0.0004 Å
• α: 93.577 ± 0.002°
• β: 100.035 ± 0.003°
• γ: 113.048 ± 0.003°
• Cell volume: 1264.85 ± 0.09 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No