Information card for entry 2236777

Structure parameters

• Chemical name: 4-Methoxy-2-{(<i>E</i>)-[(thiophen-2-yl)methylimino]methyl}phenol
• Formula: C13 H13 N O2 S
• Calculated formula: C13 H13 N O2 S
• SMILES: c1(ccc(cc1/C=N/Cc1cccs1)OC)O
• Title of publication: 4-Methoxy-2-{(<i>E</i>)-[(thiophen-2-yl)methylimino]methyl}phenol
• Authors of publication: Kantar, Esen Nur; Köysal, Yavuz; Macit, Mustafa; Er, Ebru; Soylu, Mustafa Serkan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2801
• a: 5.6325 ± 0.0003 Å
• b: 8.1666 ± 0.0003 Å
• c: 13.4836 ± 0.0006 Å
• α: 90°
• β: 96.798 ± 0.004°
• γ: 90°
• Cell volume: 615.86 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes