Journal of Guangxi Normal University(Natural Science Edition) ›› 2015, Vol. 33 ›› Issue (2): 82-87.doi: 10.16088/j.issn.1001-6600.2015.02.013

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Synthesis and Crystal Structure of Ethyl 5-acetamido-4-(4-chlorophenyl)-2-methyl-6-oxo-5, 6-dihydro-4H-pyran-3-carboxylate

LIANG Xiao-long1,2, HUANG Wan-yun3, PAN Cheng-xue1,2, SU Gui-fa1,2   

  1. 1. State Key Laboratory Cultivation Base for the Chemistry and Molecular Engineering of Medicinal Resources,Guangxi Normal University, Guilin Guangxi 541004, China;
    2. School of Chemistry and Pharmaceutical Sciences,Guangxi Normal University,Guilin Guangxi 541004, China;
    3. Department of Pharmaceutical Sciences, Guilin Medical University, Guilin Guangxi 541004, China
  • Received:2015-01-05 Online:2015-02-10 Published:2018-09-20

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Abstract: Ethyl 5-acetamido-4-(4-chlorophenyl)-2-methyl-6-oxo-5,6-dihydro-4H-pyran-3-carboxylate, C17H18ClNO5, has been synthesized and characterized by IR, NMR, MS and single-crystal X-ray diffraction. The crystal is of orthorhombic, space group Pbca with a=1.189 29(13) nm, b=0.968 44(10) nm, c=3.172 1(2) nm, V=3.653 5(6) nm3, Z=8, Mr=351.77, Dc=1.279 Mg/m3, λ=0.071 073 nm, μ(MoKα)=0.234 mm-1, F (000)=1 472, the final R=0.098 5 and wR=0.245 4 for 141 3 observed reflections with I>2σ(I). The N—H and oxygen atom are involved in intermolecular hydrogen bonds which link the molecules into an one-dimensional chain and stabilize the structure.

Key words: 2-pyrone, synthesis, crystal structure

CLC Number: 

  • O622.5
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