Textile Coloration and Finishing (한국염색가공학회지)

The Korean Society of Dyers and Finishers (한국염색가공학회)
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C-H···π and C-H···O Interactions in Coumarin 6 : 3-(2-benzothiazolyl)-7-(diethylamino)-coumarin

  • Li, Xiaochuan (College of Chemistry and Environmental Science, Henan Normal University) ;
  • Son, Young-A (BK 21 FTIT, Department of Organic Materials and Textile System Engineering, Chungnam National University)
  • Received : 2010.01.25
  • Accepted : 2010.06.14
  • Published : 2010.06.27
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Abstract

Crystal structure of coumarin 6 has been solved by X-ray diffraction. The crystals are triclinic, space group P-1, with a=8.823(2) ${\AA}$, b=8.898(2) ${\AA}$, c=11.025(9) ${\AA}$, ${\alpha}$=86.41(3)$^{\circ}$, ${\beta}$=85.39(3)$^{\circ}$, ${\gamma}$=76.23(3)$^{\circ}$, Mr=350.42, V=837.1(3) ${\AA}^3$, Z=2 and R=0.0516. The molecules are packed parallel to each other by weaker ${\pi}{\cdots}{\pi}$ and C-H${\cdots}{\pi}$ interactions. The detailed geometry of C-H${\cdots}{\pi}$ interactions were discussed. The hydrogen bonds and non-traditional C-H${\cdots}O$ interactions join the no-parallel molecules together. All the molecules packed wall-like with the molecular brick.

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References

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