Information card for entry 2216878

Structure parameters

• Chemical name: 4-Methoxy-N-[6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzenesulfonamide
• Formula: C15 H14 N2 O3 S2
• Calculated formula: C15 H14 N2 O3 S2
• SMILES: c12c(ccc(c1)C)NC(=NS(=O)(=O)c1ccc(cc1)OC)S2
• Title of publication: 4-Methoxy-<i>N</i>-[6-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzenesulfonamide
• Authors of publication: Navarrete-Vázquez, Gabriel; Moreno-Diaz, Hermenegilda; Villalobos-Molina, Rafael; Estrada-Soto, Samuel; Tlahuext, Hugo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o227 - o227
• a: 12.0173 ± 0.0015 Å
• b: 16.211 ± 0.002 Å
• c: 7.7377 ± 0.001 Å
• α: 90°
• β: 99.973 ± 0.002°
• γ: 90°
• Cell volume: 1484.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes