Information card for entry 7249274

Structure parameters

• Formula: C5 H5 Cl N2 O S
• Calculated formula: C5 H5 Cl N2 O S
• Title of publication: Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate
• Authors of publication: Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 38
• Pages of publication: 27894 - 27903
• a: 5.0499 ± 0.0002 Å
• b: 7.4591 ± 0.0003 Å
• c: 9.4964 ± 0.0003 Å
• α: 90.462 ± 0.003°
• β: 91.106 ± 0.003°
• γ: 108.081 ± 0.004°
• Cell volume: 339.94 ± 0.02 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No