Information card for entry 7160213

Structure parameters

• Formula: C8 H6 N4 S
• Calculated formula: C8 H6 N4 S
• Title of publication: Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
• Authors of publication: Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 207 - 212
• a: 8.1698 ± 0.0004 Å
• b: 5.5451 ± 0.0003 Å
• c: 19.2296 ± 0.0009 Å
• α: 90°
• β: 97.039 ± 0.004°
• γ: 90°
• Cell volume: 864.58 ± 0.08 ų
• Cell temperature: 200 ± 0.14 K
• Ambient diffraction temperature: 200 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No