Information card for entry 2225318

Structure parameters

• Chemical name: 2-[2-(3-Chlorophenyl)-2-oxoethyl]-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide
• Formula: C15 H10 Cl N O4 S
• Calculated formula: C15 H10 Cl N O4 S
• SMILES: Clc1cc(C(=O)CN2S(=O)(=O)c3ccccc3C2=O)ccc1
• Title of publication: 2-[2-(3-Chlorophenyl)-2-oxoethyl]-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide
• Authors of publication: Khalid, Zunera; Siddiqui, Hamid Latif; Ahmad, Matloob; Bukhari, Iftikhar Hussain; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o617
• a: 7.7258 ± 0.0004 Å
• b: 9.078 ± 0.0004 Å
• c: 10.0809 ± 0.0005 Å
• α: 83.884 ± 0.003°
• β: 85.092 ± 0.003°
• γ: 87.765 ± 0.003°
• Cell volume: 700.1 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.049
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes