Information card for entry 2236630

Structure parameters

• Chemical name: (<i>Z</i>)-2-[Methoxy(phenyl)methylidene]-3,4,5-trimethyl-2,3-dihydro- 1,3-thiazole
• Formula: C14 H17 N O S
• Calculated formula: C14 H17 N O S
• SMILES: S1C(=C(N(/C1=C(/OC)c1ccccc1)C)C)C
• Title of publication: (<i>Z</i>)-2-[Methoxy(phenyl)methylidene]-3,4,5-trimethyl-2,3-dihydro-1,3-thiazole
• Authors of publication: Maji, Biplab; Mayr, Herbert; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2644
• a: 15.966 ± 0.0007 Å
• b: 6.8902 ± 0.0003 Å
• c: 12.152 ± 0.0006 Å
• α: 90°
• β: 103.381 ± 0.005°
• γ: 90°
• Cell volume: 1300.54 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes