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One-pot Synthesis,Characterization and Crystal Structure Determination of Novel 1,4,5-Trisubstituted 1,2,3-Triazole with Two Conformational Isomers:1-Benzyl-5-((4-methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole

AHMED Muhammad NaeemYASIN Khawaja AnsarKHAN Bilal AhmadRIAZ MuhammadSADIQ-UR-REHMANLO Kong MunNASEER Muhammad MoazzamARSHAD IfzanIRSHAD Muhammad

  Department of Chemistry,The University of Azad Jammu and Kashmir    Department of Chemistry,University of Malaya    Department of Chemistry,Quaid-i-Azam University    Department of Chemistry,University of Poonch Rawalakot Azad Kashmir  

摘要:The title compound l-benzyl-5-((4-methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole(C24H19N3O) was designed and synthesized using one-pot strategy and structural characterization was done by single-crystal X-ray diffraction,NMR,IR and MS.This compound was crystallized out from an ethanolic solution in triclinic system,space group P1 with a =9.9038(9),b = 10.2928(9),c = 18.8715(19) ?,α = 103.541(6),β = 90.507(7),γ = 97.157(7)°,V =1854.2(3) ?~3,Z = 4,crystal size(mm) = 0.25 × 0.1 × 0.1 and Rint = 0.068.Its asymmetric unit contains two independent molecules.The crystal structure of the title compound is stabilized by intramolecular interactions of types C-H…N and C-H…O.Additionally,X-ray analysis reveals obvious C-H…π,π-π stacking interactions between two adjacent aromatic ring planes.
  • DOI:

    10.14102/j.cnki.0254-5861.2011-0831

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    O626.26

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