Information card for entry 2222711

Structure parameters

• Chemical name: 4-[(<i>Z</i>)-(2-furyl)(2-naphthylamino)methylene)]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C25 H19 N3 O2
• Calculated formula: C25 H19 N3 O2
• SMILES: O=C1N(N=C(C1=C(Nc1c2ccccc2ccc1)c1occc1)C)c1ccccc1
• Title of publication: 4-[(<i>Z</i>)-(2-Furyl)(2-naphthylamino)methylene)]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Li, Jing; Li, Jin-Zhou; Li, Jing-Qi; Zhang, Heng-Qiang; Li, Jia-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1824
• a: 9.8484 ± 0.001 Å
• b: 17.5071 ± 0.0018 Å
• c: 12.1549 ± 0.0013 Å
• α: 90°
• β: 108.836 ± 0.002°
• γ: 90°
• Cell volume: 1983.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes