Information card for entry 2239532

Structure parameters

• Chemical name: <i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide
• Formula: C19 H18 N4 O4
• Calculated formula: C19 H18 N4 O4
• SMILES: O=C(Nc1c(n(n(c1=O)c1ccccc1)C)C)Cc1ccc(N(=O)=O)cc1
• Title of publication: <i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide
• Authors of publication: Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.; Narayana, B.; Byrappa, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o636 - o637
• a: 6.7023 ± 0.0006 Å
• b: 8.6335 ± 0.0008 Å
• c: 15.872 ± 0.0013 Å
• α: 76.305 ± 0.007°
• β: 84.399 ± 0.007°
• γ: 77.252 ± 0.007°
• Cell volume: 869.32 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes