C-H···π and C-H···O Interactions in Coumarin 6 : 3-(2-benzothiazolyl)-7-(diethylamino)-coumarin

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.