Information card for entry 2229188

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-5-(piperidin-1-ylmethyl)thiazole
• Formula: C22 H23 F N2 O S
• Calculated formula: C22 H23 F N2 O S
• SMILES: s1c(nc(c2ccc(OC)cc2)c1CN1CCCCC1)c1ccc(F)cc1
• Title of publication: 2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-5-(piperidin-1-ylmethyl)thiazole
• Authors of publication: Guo, Chang-Bin; Lv, Chao; Wei, Wei; Zhou, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o361
• a: 10.7565 ± 0.0002 Å
• b: 10.8846 ± 0.0002 Å
• c: 11.0179 ± 0.0002 Å
• α: 67.035 ± 0.001°
• β: 63.881 ± 0.001°
• γ: 60.768 ± 0.001°
• Cell volume: 985.16 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes