Information card for entry 2237126

Structure parameters

• Chemical name: 2-(2,4-Dichlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro- 1<i>H</i>-pyrazol-4-yl)acetamide
• Formula: C19 H17 Cl2 N3 O2
• Calculated formula: C19 H17 Cl2 N3 O2
• SMILES: Clc1c(ccc(Cl)c1)CC(=O)Nc1c(n(n(c1=O)c1ccccc1)C)C
• Title of publication: 2-(2,4-Dichlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide
• Authors of publication: Butcher, Ray J.; Mahan, Aneeka; Nayak, P. S.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o39
• a: 25.1853 ± 0.0005 Å
• b: 8.18108 ± 0.00009 Å
• c: 21.0978 ± 0.0004 Å
• α: 90°
• β: 119.772 ± 0.003°
• γ: 90°
• Cell volume: 3773.28 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes