Information card for entry 2212081

Structure parameters

• Chemical name: (E)-4-(6-Methoxy-2-naphthylmethylideneamino)-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one
• Formula: C23 H21 N3 O2
• Calculated formula: C23 H21 N3 O2
• SMILES: C1(C(=O)N(c2ccccc2)N(C=1C)C)/N=C/c1cc2ccc(cc2cc1)OC
• Title of publication: (<i>E</i>)-4-(6-Methoxy-2-naphthylmethylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Zhang, Chun-Niu; Zheng, Yun-Fa; Wang, Liang-Gui; Gu, Yong-Bing; Yang, Ming-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1043 - o1044
• a: 8.102 ± 0.002 Å
• b: 7.1317 ± 0.0019 Å
• c: 33.558 ± 0.009 Å
• α: 90°
• β: 90.761 ± 0.004°
• γ: 90°
• Cell volume: 1938.8 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes