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논문검색

Crystal Structure Analysis of 6-Ethoxy-3-phenyl-5a,9a-dihydro-3H-chromen[ 4,3-c][1,2]oxazole-3a(4H)-carbonitrile

초록

영어

The crystal structure of the potential active 6-ethoxy-3-phenyl-5a,9a-dihydro-3H-chromen[4,3 -c][1,2]oxazole-3a(4H)- carbonitrile (C19H15N2O3) has been determined from single crystal X-ray diffraction technique. The title compound crystallizes in the monoclinic space group C2/c with unit cell dimension a= 29.3026(9) Å, b= 6.7695(2) Å and c= 19.7597(6) Å [α= 90°, β= 125.709 (10)° and γ= 90°]. Single crystals suitable for X-ray diffraction were obtained by slow evaporation method, the isoxazole and six membered pyran rings adopts envelope conformation. The crystal packing of the molecules is stabilized by the weak C-H…N hydrogen bond interaction.

목차

Abstract
 1. Introduction
 2. Material and Methods
 3. Experimental Section
  3.1. Synthesis of the Title Compound
  3.2. X-Ray Crystallography
 4. Results and Discussion
 5. Conclusion
 References

저자정보

  • P. Malathy CAS in Crystallography and Biophysics, University of Madras, Chennai 600025, India
  • P. Sharmila Department of Physics, Presidency College, Chennai 600005, India
  • J. Srinivasan Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai-600025, India
  • Bakthadoss Manickam Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai-600025, India
  • S. Aravindhan Department of Physics, Presidency College, Chennai 600005, India

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