Information card for entry 8107027

Structure parameters

• Formula: C17 H9 Br N2 O2 S
• Calculated formula: C17 H9 Br N2 O2 S
• Title of publication: Crystal structure of 2-(4-(4-bromophenyl)thiazol-2-yl)isoindoline-1,3-dione, C17H9BrN2O2S
• Authors of publication: Ghabbour, Hazem A.; Kadi, Adnan A.; El-Subbagh, Hussein I.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 853 - 854
• a: 11.2908 ± 0.0002 Å
• b: 8.3281 ± 0.0002 Å
• c: 16.1037 ± 0.0003 Å
• α: 90°
• β: 94.453 ± 0.001°
• γ: 90°
• Cell volume: 1509.67 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No