Information card for entry 2019781

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]-3-phenylacrylate
• Formula: C22 H23 N3 O3
• Calculated formula: C22 H23 N3 O3
• SMILES: C1(=O)C(=C(C)N(C)N1c1ccccc1)N/C(c1ccccc1)=C\C(=O)OCC
• Title of publication: A structural study of 4-aminoantipyrine and six of its Schiff base derivatives
• Authors of publication: Mnguni, Malitsatsi J.; Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• a: 8.4851 ± 0.0007 Å
• b: 12.4253 ± 0.001 Å
• c: 18.0314 ± 0.0018 Å
• α: 90°
• β: 92.282 ± 0.003°
• γ: 90°
• Cell volume: 1899.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes