Information card for entry 8107565

Structure parameters

• Chemical name: 2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11 H10 N2 O3 S? C~11~H~10~N~2~O~3~S~1~
• Formula: C11 H10 N2 O3 S
• Calculated formula: C11 H10 N2 O3 S
• Title of publication: Crystal structure of 2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11H10N2O3S
• Authors of publication: Wang, Qinglong; Hou, Xuehui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 797 - 798
• a: 10.8483 ± 0.0007 Å
• b: 9.3377 ± 0.0008 Å
• c: 5.4086 ± 0.0003 Å
• α: 90°
• β: 95.398 ± 0.006°
• γ: 90°
• Cell volume: 545.45 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No