Information card for entry 2224969

Structure parameters

• Chemical name: Ethyl 2-{[(1<i>Z</i>)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol- 4-ylidene)(<i>p</i>-tolyl)methyl]amino}-3-phenylpropanoate
• Formula: C29 H29 N3 O3
• Calculated formula: C29 H29 N3 O3
• SMILES: CCOC(=O)C(N/C(=C1/C(=NN(C1=O)c1ccccc1)C)c1ccc(cc1)C)Cc1ccccc1
• Title of publication: Ethyl 2-{[(1<i>Z</i>)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)(<i>p</i>-tolyl)methyl]amino}-3-phenylpropanoate
• Authors of publication: Zhang, Xin; Huang, Meng; Du, Cong; Han, Junjing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o273
• a: 11.0637 ± 0.0011 Å
• b: 13.2746 ± 0.0014 Å
• c: 20.299 ± 0.002 Å
• α: 101.869 ± 0.002°
• β: 97.923 ± 0.002°
• γ: 112.861 ± 0.002°
• Cell volume: 2608.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes