Information card for entry 7124849

Structure parameters

• Common name: triazole-10
• Chemical name: 3H-3-Benzyl-7-(4-fluorophenyl)-1,2,3-triazolo[3,4]benzo[1,2-d]thiazole
• Formula: C20 H13 F N4 S
• Calculated formula: C20 H13 F N4 S
• Title of publication: Thiazolobenzyne: a versatile intermediate for multisubstituted benzothiazoles.
• Authors of publication: Yoshida, Suguru; Yano, Takahisa; Nishiyama, Yoshitake; Misawa, Yoshihiro; Kondo, Masakazu; Matsushita, Takeshi; Igawa, Kazunobu; Tomooka, Katsuhiko; Hosoya, Takamitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 75
• Pages of publication: 11199 - 11202
• a: 9.927 ± 0.003 Å
• b: 13.059 ± 0.003 Å
• c: 13.682 ± 0.003 Å
• α: 69.528 ± 0.014°
• β: 89.026 ± 0.017°
• γ: 78.107 ± 0.017°
• Cell volume: 1623.1 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No