Information card for entry 2232281

Structure parameters

• Chemical name: (5<i>E</i>)-5-(2,4-Dichlorobenzylidene)-2-(piperidin-1-yl)- 1,3-thiazol-4(5<i>H</i>)-one
• Formula: C15 H14 Cl2 N2 O S
• Calculated formula: C15 H14 Cl2 N2 O S
• SMILES: Clc1ccc(c(Cl)c1)/C=C1\SC(=NC1=O)N1CCCCC1
• Title of publication: (5<i>E</i>)-5-(2,4-Dichlorobenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5<i>H</i>)-one
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Lobo, Prajwal L.; Prasad, D. Jagadeesh; Poojary, Boja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2884
• a: 28.5303 ± 0.0003 Å
• b: 7.4915 ± 0.0001 Å
• c: 15.4789 ± 0.0002 Å
• α: 90°
• β: 116.407 ± 0.001°
• γ: 90°
• Cell volume: 2963.17 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes