Information card for entry 2011281

Structure parameters

• Chemical name: (E)-2-(2-α-Naphthyl)vinyl-3-p-tosyl benzothiazoline
• Formula: C26 H21 N O2 S2
• Calculated formula: C26 H21 N O2 S2
• SMILES: S(=O)(=O)(N1c2ccccc2SC1\C=C\c1cccc2ccccc12)c1ccc(C)cc1
• Title of publication: (<i>E</i>)-2-[2-(1-Naphthyl)vinyl]-3-tosyl-2,3-dihydro-1,3-benzothiazole
• Authors of publication: Maiti, Susim; Mukherjee, Monika; Nandi, Bidisha; Helliwell, Madeleine; Kundu, Nitya G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 992 - 994
• a: 10.006 ± 0.004 Å
• b: 8.543 ± 0.003 Å
• c: 26.09 ± 0.01 Å
• α: 90°
• β: 98.52 ± 0.04°
• γ: 90°
• Cell volume: 2205.6 ± 1.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes