Information card for entry 2207807

Structure parameters

• Chemical name: 3-Methoxy-N-[2-(methylsulfanyl)phenyl]salicylaldimine
• Formula: C15 H15 N O2 S
• Calculated formula: C15 H15 N O2 S
• SMILES: CSc1ccccc1/N=C/c1c(c(ccc1)OC)O
• Title of publication: 3-Methoxy-<i>N</i>-[2-(methylsulfanyl)phenyl]salicylaldimine
• Authors of publication: Hamaker, Christopher G.; Corgliano, Danielle M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o68 - o69
• a: 6.5559 ± 0.0004 Å
• b: 13.7147 ± 0.0007 Å
• c: 14.52 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1305.53 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes