Information card for entry 7160481

Structure parameters

• Formula: C22 H22 Cl I N4 O3 S
• Calculated formula: C22 H22 Cl I N4 O3 S
• Title of publication: Investigation of the photochemical behavior of allomaltol-containing 2-aminothiazole derivatives.
• Authors of publication: Migulin, Alexander V.; Milyutin, Constantine V.; Lichitsky, Boris V.; Korobkov, Stepan M.; Komogortsev, Andrey N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 4172 - 4185
• a: 8.18997 ± 0.00005 Å
• b: 8.95782 ± 0.00005 Å
• c: 17.13924 ± 0.00009 Å
• α: 97.8836 ± 0.0004°
• β: 99.1687 ± 0.0005°
• γ: 97.7247 ± 0.0005°
• Cell volume: 1213.81 ± 0.012 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No