Information card for entry 1546687

Structure parameters

• Chemical name: (<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide
• Formula: C19 H12 Cl2 N2 O4 S3
• Calculated formula: C19 H12 Cl2 N2 O4 S3
• SMILES: S(=O)(=O)(/N=C1\Sc2c(N1S(=O)(=O)c1ccc(Cl)cc1)cccc2)c1ccc(Cl)cc1
• Title of publication: (<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide
• Authors of publication: Watkins, Sydney M.; Hagen, Timothy J.; Perkins, Timothy S.; Zheng, Chong
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 6
• Pages of publication: x170865
• a: 7.133 ± 0.0009 Å
• b: 8.1155 ± 0.0011 Å
• c: 17.798 ± 0.002 Å
• α: 87.747 ± 0.002°
• β: 81.84 ± 0.002°
• γ: 87.849 ± 0.002°
• Cell volume: 1018.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes