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논문검색

Crystal Structure Analysis of Methyl 8-bromo-3-phenyl-5a,9a-dihydro-3H-chromen [4,3-c][1,2] isoxazole-3a(4H)-carboxylate

초록

영어

The crystal structure of the potential active Methyl 8-bromo-3-phenyl-5a,9a-dihydro-3H- chromen [4,3-c][1,2] isoxazole- 3a(4H)- carboxylate (C18H15BrNO4) has been determined from single crystal X-ray diffraction technique. The title compound crystallizes in the triclinic space group Pī with unit cell dimension a=8.3129 (3) Å, b=9.5847 (4) Å and c= 11.1463(4) Å [α= 98.457(3)°, β= 102.806(2)° and γ= 105.033(5)°]. Single crystals suitable for X-ray diffraction were obtained by slow evaporation method, the isoxazole and six membered pyran rings adopts envelope conformation. In the crystal, molecules are linked via pairs of inter molecular C-H…O hydrogen bonds to form dimmers.

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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