Information card for entry 8101796

Structure parameters

• Chemical name: ethyl[6-(2-fluorobenzoyl)-2-oxobenzothiazolin-3-yl]butanoate
• Formula: C20 H18 F N O4 S
• Calculated formula: C20 H18 F N O4 S
• Title of publication: Crystal structure of ethyl [6-(2-fluorobenzoyl)-2-oxo-benzothiazolin- 3-yl]-butanoate, C~20~H~18~FNO~4~S
• Authors of publication: A. Aydin; Y. Dündar; C. Arici
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 379 - 380
• a: 12.5366 ± 0.0012 Å
• b: 11.9016 ± 0.0013 Å
• c: 12.573 ± 0.0014 Å
• α: 90°
• β: 93.229 ± 0.004°
• γ: 90°
• Cell volume: 1873 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No