Information card for entry 2012106

Structure parameters

• Common name: 2-[(4-chlorophenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline
• Chemical name: 2-[(4-chlorophenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline
• Formula: C29 H25 Cl N2 O4 S2
• Calculated formula: C29 H25 Cl N2 O4 S2
• SMILES: S(=O)(=O)(N1c2ccccc2N(S(=O)(=O)c2ccc(cc2)C)C\C1=C/c1cccc(Cl)c1)c1ccc(cc1)C
• Title of publication: A series of three (<i>E</i>)-2-alkylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds
• Authors of publication: Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 861 - 864
• a: 10.5361 ± 0.001 Å
• b: 24.04 ± 0.003 Å
• c: 10.6146 ± 0.001 Å
• α: 90°
• β: 93.863 ± 0.01°
• γ: 90°
• Cell volume: 2682.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1208
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes