Toluene-4-sulfonic Acid 4-Allyl-2,6-dimethoxy-phenyl Ester

  • 발행 : 2004.01.01

초록

上記 題目의 化合物, $C_{18}H_{20}O_5S$은 한 對非稱 單位內에 한 個의 分子를 가지고 對稱中心室間群 $P\={1}$로 結晶化 되었다. sulfonate 群內ml S 原子는 O와 C 原子들로 이루워진 四面體 環境을 維特하고 있으며, S-O 二重結合 平均 길이는 1.420(2) ${\AA}$이며 S-O 單一結合 길이는 1.598(2) ${\AA}$이고 S-C 結合 길이는 1.742(3) ${\AA}$이다. C(7)-S-O(3)-C(8) 의 비틀림 角은 100.3(2)$^{\circ}$이며, 두 個의 six-membered rings의 二面角은 42.73(20)$^{\circ}$이다.

The title compound, $C_{18}H_{20}O_5S$, crystallized in the centrosymmetric space group $P\={1}$ with one molecule in an asymmetric unit. The S atom in the sulfonate group retains the overall tetrahedral environment of the O and C atoms with an average S-O bond of 1.420(2) ${\AA}$ for double bond and of 1.598(2) ${\AA}$ for single bond and S-C length of 1.742(3) ${\AA}$. The torsion angle C(7)-S-O(3)-C(8) is 100.3(2)$^{\circ}$ and the dihedral angle of the two planar six-membered rings is 42.73(20)$^{\circ}$.

키워드

참고문헌

  1. Yang, Y. C., Lee, S. H., Lee, W. J., Choi, D. H. and Ahn, Y. J., J. Argic, Chem., 51, 4884-4888 (2003)
  2. Bertrand, F., Basketter, D. A., Roberts, D. W. and Lepoittevin, J. P., Chem. Res. Toxicol, (10), 335-343 (1997)
  3. Rompelberg, C. J. M., Pleomen, J. H. T. M., Jespersen, S., Verhagen, J. G., Verhagen, H. and Bladeren, P. J., Chemico-Bio. Interactions, 99, 85-97 (1996)
  4. Akihiro, T., Akiko, K., Kazuko, N., Ai, O., Yutaka, O. and Takamasa, G., PCT Int. Apply. JP 2002255781 (2002)
  5. Kigoshi, H., Adachi, Y., Yoshikawa, K. and Yamada, K., Tetrahedron Lett., 33(29), 4195-4198 (1992)
  6. Dansu, L. and Spencer, T. A., Steroids, 65, 529-535 (2000)
  7. Vibha, B. O. and Robert, C. C., J. Org. Chem., 60, 3680-3684 (1995)
  8. Sheldrick, G. M., SHELXS97 and SHELXL97. University of Goettingen, Germany (1997)
  9. Enraf-Nonius, CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands (1994)
  10. Harms, K. and Wocadlo, S., XCAD4. University of Marburg, Germany (1995)
  11. Farrugia, L. J., J. Appl. Cryst., 30, 565 (1997)
  12. Yoon, I., Park, K. M. and Lee, S. S., Acta Cryst., C57, 321-322 (2001)
  13. Sim, W., Lee, J. Y., Kim, J. S., Kim, J. G. and Suh, I.-H., Acta Cryst., C57, 293-294 (2001)