| Synthesis and Crystal Structure of 4-{[（1E）1- （2-Hydroxy-3-methoxyphenyl）methylidene]amino}- 1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one |
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| 引用本文： | 孙玉希.Synthesis and Crystal Structure of 4-{[（1E）1- （2-Hydroxy-3-methoxyphenyl）methylidene]amino}- 1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one[J].结构化学,2007,26(1):55-58. |
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| 作者姓名： | 孙玉希 |
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| 作者单位： | Department of |
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| 基金项目： | This work was supported by the Qufu Normal University |
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| 摘 要： | The title Schiff base compound,C19H19N3O3,a derivative of antipyrine,has been synthesized and characterized by elemental analysis,IR,and single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group C2/c,with α = 27.935(5),b = 7.553(1),c =16.692(3) (A),β = 105.810(3)°,Z= 8,V= 3388.7(10) (A)3,Dc = 1.323 g/cm3,Mr = 337.37,λ(MoKα) =0.71073 (A),μ = 0.091 mm-1,F(000) = 1424,R = 0.0630 and wR = 0.1273.A total of 3513 unique reflections were collected,of which 2112 with I ＞ 2σ(I) were observed.The molecular structure adopts a trans configuration about the C=N double bond.The pyrazoline and C(1)～C(6) pheny1 ring are approximately coplanar (mean deviation from the combined plane is 0.069(3) (A)),with the dihedral angle of 9.7(2)°.The preliminary biological tests show that the compound has high antibacterial activities.
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| 关 键 词： | 席夫碱 安替比林 晶体结构 抗菌活性 |
Synthesis and Crystal Structure of 4-{[(1E)1-(2-Hydroxy-3-methoxyphenyl)methylidene] amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one |
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| SUN Yu-Xi.Synthesis and Crystal Structure of 4-{[(1E)1-(2-Hydroxy-3-methoxyphenyl)methylidene] amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one[J].Chinese Journal of Structural Chemistry,2007,26(1):55-58. |
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| Authors: | SUN Yu-Xi |
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| Institution: | Department of Chemistry, Qufu Normal University, Qufu 273165, China |
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| Abstract: | The title Schiff base compound,C19H19N3O3,a derivative of antipyrine,has been synthesized and characterized by elemental analysis,IR,and single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group C2/c,with α = 27.935(5),b = 7.553(1),c =16.692(3) (A),β = 105.810(3)°,Z= 8,V= 3388.7(10) (A)3,Dc = 1.323 g/cm3,Mr = 337.37,λ(MoKα) =0.71073 (A),μ = 0.091 mm-1,F(000) = 1424,R = 0.0630 and wR = 0.1273.A total of 3513 unique reflections were collected,of which 2112 with I ＞ 2σ(I) were observed.The molecular structure adopts a trans configuration about the C=N double bond.The pyrazoline and C(1)～C(6) pheny1 ring are approximately coplanar (mean deviation from the combined plane is 0.069(3) (A)),with the dihedral angle of 9.7(2)°.The preliminary biological tests show that the compound has high antibacterial activities. |
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| Keywords: | Schiff base antipyrine derivative crystal structure antibacterial activities Crystal Structure Synthesis biological show high antibacterial activities dihedral angle mean deviation combined plane ring pyrazoline double bond molecular structure trans configuration total unique space |
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