Information card for entry 2231166

Structure parameters

• Chemical name: (5<i>E</i>)-5-(4-Methoxybenzylidene)-2-(piperidin-1-yl)-1,3-thiazol- 4(5<i>H</i>)-one
• Formula: C16 H18 N2 O2 S
• Calculated formula: C16 H18 N2 O2 S
• SMILES: S1/C(=C\c2ccc(OC)cc2)C(=O)N=C1N1CCCCC1
• Title of publication: (5<i>E</i>)-5-(4-Methoxybenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5<i>H</i>)-one
• Authors of publication: Fun, Hoong-Kun; Yeap, Chin Sing; Lobo, Prajwal L.; Prasad, D. Jagadeesh; Poojary, Boja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1915
• a: 8.5811 ± 0.0003 Å
• b: 16.5165 ± 0.0006 Å
• c: 12.493 ± 0.0004 Å
• α: 90°
• β: 121.518 ± 0.002°
• γ: 90°
• Cell volume: 1509.42 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes