Information card for entry 8101583

Structure parameters

• Formula: C9 H10 O3 S
• Calculated formula: C9 H10 O3 S
• SMILES: S(=O)(=O)(CC(=O)C)c1ccccc1
• Title of publication: Crystal structure of 1-phenylsulfonyl-2-propanone, C~9~H~10~O~3~S
• Authors of publication: Zukerman-Schpector, J.; Olivato, P. R.; Bueno, E.; Guerrero, S. A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 563 - 564
• a: 9.185 ± 0.001 Å
• b: 5.2293 ± 0.0009 Å
• c: 20.168 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 968.7 ± 0.2 ų
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.085
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No