Information card for entry 2236441

Structure parameters

• Chemical name: 2-[2-(2-Chlorophenyl)-2-oxoethyl]-2,3-dihydro-1λ^6^,2-benzothiazole- 1,1,3-trione
• Formula: C15 H10 Cl N O4 S
• Calculated formula: C15 H10 Cl N O4 S
• SMILES: Clc1c(C(=O)CN2S(=O)(=O)c3ccccc3C2=O)cccc1
• Title of publication: 2-[2-(2-Chlorophenyl)-2-oxoethyl]-2,3-dihydro-1λ^6^,2-benzothiazole-1,1,3-trione
• Authors of publication: Sattar, Nazia; Siddiqui, Hamid Latif; Ahmad, Naveed; Hussain, Tanvir; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2802
• a: 7.4933 ± 0.0002 Å
• b: 13.9702 ± 0.0003 Å
• c: 14.5844 ± 0.0003 Å
• α: 109.046 ± 0.0014°
• β: 96.5998 ± 0.0014°
• γ: 93.4671 ± 0.0011°
• Cell volume: 1425.77 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes