Information card for entry 2237493

Structure parameters

• Chemical name: 2-(3,4-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: Clc1cc(ccc1Cl)CC(=O)Nc1c(n(n(c1=O)c1ccccc1)C)C
• Title of publication: 2-(3,4-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: Mahan, Aneeka; Butcher, Ray J.; Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o402 - o403
• a: 17.2064 ± 0.0008 Å
• b: 20.7984 ± 0.0009 Å
• c: 15.6102 ± 0.0007 Å
• α: 90°
• β: 101.213 ± 0.004°
• γ: 90°
• Cell volume: 5479.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2322
• Residual factor for significantly intense reflections: 0.1194
• Weighted residual factors for significantly intense reflections: 0.2654
• Weighted residual factors for all reflections included in the refinement: 0.3448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes