Information card for entry 7249712

Structure parameters

• Common name: 2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
• Chemical name: 2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
• Formula: C11 H11 Cl2 N O2
• Calculated formula: C11 H11 Cl2 N O2
• Title of publication: An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst
• Authors of publication: Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 54
• Pages of publication: 40058 - 40068
• a: 7.4471 ± 0.0009 Å
• b: 23.852 ± 0.004 Å
• c: 6.8468 ± 0.0008 Å
• α: 90°
• β: 107.136 ± 0.007°
• γ: 90°
• Cell volume: 1162.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No