| Synthesis,Crystal Structure and Herbicidal Activity of N-（4-Methylbenzyl）-4-（3-fluorophenyl）-4-piperidinol Hydrochloride |
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| 引用本文： | 方治坤,薛思佳,陈龙,胥杨,尹安琴. Synthesis,Crystal Structure and Herbicidal Activity of N-（4-Methylbenzyl）-4-（3-fluorophenyl）-4-piperidinol Hydrochloride[J]. 结构化学, 2009, 28(7): 841-846 |
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| 作者姓名： | 方治坤 薛思佳 陈龙 胥杨 尹安琴 |
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| 作者单位： | Department;Chemistry;College;Life;Environmental;Science;Shanghai;Normal;University; |
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| 基金项目： | Supported by the National Natural Science Foundation of China (No. 20672073);;Shanghai Leading Academic Discipline Project (No. T0402) |
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| 摘 要： | A novel compound N-（4-methylbenzyl）-4-（3-fluorophenyl）-4-piperidinol hydrochloride has been synthesized and its structure （C19H23ClFNO, Mr = 335.83） was characterized by elemental analysis, IR, ^1H NMR, MS and single-crystal X-ray diffraction analyses. The crystal belongs to the triclinic system, space group P1 with a = 7.2163（6）, b = 10.7905（9）, c = 12.2651（10） A, α = 109.576（2）,β = 98.407（2）,γ= 95.956（2）°, V= 878.14（13）A3, Z = 2, Dc = 1.270 g/cm^3,μ = 0.231 mm^-1, F（000） = 356, S = 1.100, the final R = 0.0525 and wR = 0.1425 for 3206 unique reflections （Rint = 0.0140） with 2736 observed ones （I 〉 2σ（I））. The piperidine ring exhibits a chair conformation. The dihedral angle made by the methyl- and fluoro-substituted benzene rings is 66.84（7）°. There are some intra- and intermolecular hydrogen bonding interactions among the molecules, which stabilize the whole crystal structure. The preliminary biological activity tests indicate good herbicidal activity for the title compound, in particular against the roots of some tested plants （such as Brassica campestris L. and Echinochloa crusgallis L.）.
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| 关 键 词： | 晶体结构 除草活性 氟取代 合成 苯基 盐酸 分子间氢键 射线衍射分析 |
Synthesis,Crystal Structure and Herbicidal Activity of N-(4-Methylbenzyl)-4-(3-fluorophenyl)-4-piperidinol Hydrochloride |
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| FANG Zhi-Kun,XUE Si-Jia,CHEN Long,XU Yang,YIN An-Qin. Synthesis,Crystal Structure and Herbicidal Activity of N-(4-Methylbenzyl)-4-(3-fluorophenyl)-4-piperidinol Hydrochloride[J]. Chinese Journal of Structural Chemistry, 2009, 28(7): 841-846 |
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| Authors: | FANG Zhi-Kun XUE Si-Jia CHEN Long XU Yang YIN An-Qin |
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| Affiliation: | Department of Chemistry,College of Life and Environmental Science,Shanghai Normal University,Shanghai 200234,China |
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| Abstract: | A novel compound N-(4-methylbenzyl)-4-(3-fluorophenyl)-4-piperidinol hydrochlo-ride has been synthesized and its structure (C19H23ClFNO,Mr=335.83) was characterized by elemental analysis,IR,1H NMR,MS and single-crystal X-ray diffraction analyses.The crystal belongs to the triclinic system,space group P(1) with a=7.2163(6),b=10.7905(9),c=12.2651(10) (A),α=109.576(2),β=98.407(2),γ=95-956(2)°,V=878.14(13) A3,Z=2,Dc=1.270 g/cm3,μ=0.231 mm-1,F(000)=356,S=1.100,the final R=0.0525 and wR=0.1425 for 3206 unique reflections (Rint=0.0140) with 2736 observed ones (I > 2σ(I)).The piperidine ring exhibits a chair conformation.The dihedral angle made by the methyl-and fluoro-substituted benzene rings is 66.84(7)°.There are some intra-and intermolecular hydrogen bonding interactions among the molecules,which stabilize the whole crystal structure.The preliminary biological activity tests indicate good herbicidal activity for the title compound,in particular against the roots of some tested plants (such as Brassica campestris L.and Echinochloa crusgallis L.). |
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| Keywords: | synthesis crystal structure herbicidal activity piperidinol |
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