Information card for entry 2208082

Structure parameters

• Chemical name: N-[2-(Benzylsulfanyl)benzylidene]-2-(methylsulfanyl)aniline
• Formula: C21 H19 N S2
• Calculated formula: C21 H19 N S2
• SMILES: S(c1ccccc1\C=N/c1c(SC)cccc1)Cc1ccccc1
• Title of publication: <i>N</i>-[2-(Benzylsulfanyl)benzylidene]-2-(methylsulfanyl)aniline
• Authors of publication: Hamaker, Christopher G.; Maryashina, Oksana; Halbach, Dominic P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o802 - o803
• a: 9.796 ± 0.0007 Å
• b: 17.1416 ± 0.0016 Å
• c: 11.2536 ± 0.0014 Å
• α: 90°
• β: 106.699 ± 0.008°
• γ: 90°
• Cell volume: 1810 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No