Information card for entry 2233129

Structure parameters

• Chemical name: Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-3-yl]oxy}acetate
• Formula: C19 H17 Cl N2 O3
• Calculated formula: C19 H17 Cl N2 O3
• SMILES: Clc1cccc(c1)c1n(nc(OCC(=O)OCC)c1)c1ccccc1
• Title of publication: Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-3-yl]oxy}acetate
• Authors of publication: Yang, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o123
• a: 11.6158 ± 0.0011 Å
• b: 15.9119 ± 0.0016 Å
• c: 19.302 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3567.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes