Information card for entry 2237160

Structure parameters

• Chemical name: 2-(2,6-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(c(Cl)ccc1)CC(=O)Nc1c(n(n(c1=O)c1ccccc1)C)C
• Title of publication: 2-(2,6-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: o46 - o47
• a: 20.3442 ± 0.0011 Å
• b: 12.108 ± 0.0008 Å
• c: 14.95 ± 0.0008 Å
• α: 90°
• β: 93.837 ± 0.005°
• γ: 90°
• Cell volume: 3674.3 ± 0.4 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: 0.0766
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes