Information card for entry 2228782

Structure parameters

• Chemical name: (<i>Z</i>)-3-Chloromethylidene-5,6-dimethoxy-2-methyl-2,3- dihydro-1,2-benzothiazole 1,1-dioxide
• Formula: C11 H12 Cl N O4 S
• Calculated formula: C11 H12 Cl N O4 S
• SMILES: S1(=O)(=O)N(C)/C(=C\Cl)c2cc(c(cc12)OC)OC
• Title of publication: (<i>Z</i>)-3-Chloromethylidene-5,6-dimethoxy-2-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
• Authors of publication: Bassin, Jatinder P.; Shah, Virender P.; Martin, Lee; Clegg, William; Harrington, Ross W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o12
• a: 7.578 ± 0.005 Å
• b: 7.904 ± 0.006 Å
• c: 10.002 ± 0.007 Å
• α: 88.875 ± 0.011°
• β: 86.293 ± 0.01°
• γ: 84.176 ± 0.011°
• Cell volume: 594.7 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.6937 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes