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Synthetic Communications
An International Journal for Rapid Communication of Synthetic Organic Chemistry
Volume 19, 1989 - Issue 13-14
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Original Articles

Synthesis and X-Ray Crystal Structure of 3,5-Dibromo-6-hydroxy-6-methyl-2-heptanone

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Pages 2501-2504 | Received 03 Apr 1989, Published online: 24 Oct 2006

References

  • Kakisawa , H. , Yamamoto , H. , Kusumi , T , Uchida , H. , Inouye , Y. and Ishitsuka , M. 1987 . J. Org. Chem. , 52 : 4597
  • Corey , E. J. 1953 . J. Am. Chem. Soc. , 75 : 2301 For example:
  • Wasserman , H. , Aubrey , N. and Zimmerman , H. 1953 . J. Am. Chem. Soc. , 75
  • Corey , E. J. 1954 . J. Am. Soc. , 76 : 175
  • Catch , J. R. , Hey , D. H. , Jones , E. R. H. and Wilson , W. 1948 . J. Chem. Soc. , 276
  • Compound 3 crystallized in the centrosymmetric, monoclinic space group P 21/n. The unit ceil parameters were determined to be a - 6.567(2) Å, b = 10.143(3) Å, c = 16.231(5) Å, and 6–101. 98(2)° by least squares fitting to the positions of 25 independent reflections in the range 23° ⩽ 2θ ⩾ 26°. This unit cell contained four asymmetric units of molecular formula C8H14Br2O2 in a volume of 1048.6(8) Å3, which produces a calculated density of 1.9 g/cm3. The structure was solved on a Nicolet R3m/E crystallographic system using the θ:2θ scan routine and graphite monochromated MoKα radiation (δ = 0.71069 Å) at approximately −100°C. After Lorentz and polarization corrections, the structure was solved by the SHELXTL 5.1 programs. All non -hydrogen atoms were refined anisotropically. The approximate location of all hydrogen atoms was determined by Fourier difference syntheses. Crystallographic parameters for compound 3 have been deposited with the Cambridge Crystallographic Database.

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