Crystal Structure and Conformation of 1, 6-Dioxa[6.5]orthocyclophane-13,16-diene-15-one

1,6-Dioxa [6.5] orthocyclophane-13, 16-diene-15-one[DOCD] crystallizes in triclinic P (I) over bar space group and the relevant crystal data are: a = 7.577( 3) $\AA$, b = 10.425( 5) $\AA$, c = 10.935( 5) $\alpha$, $\AA$ = 87.89( 1)degrees, $\beta$ = 78.13( 1)degrees, $\gamma$ = 78.87( 1)degrees, V = 829.4( 6) $\AA(^3)$, Z = 2, D-$_c_a_l$ = 1.283 Mg/m(3). The structure was solved by direct methods and refined by least-squares procedures to a final R-value of 0.0466. The structure is 15-mer whose maximum internal cavity diameter was found to be 6.44 $\AA$. The butyl group adopts a zigzag conformation. The crystal structure is stabilized by $C-\cdot\cdot\cdot{O}$ types of hydrogen bondings and $C-H\cdot\cdot\cdot{\pi}$ weak interactions in addition to van der Waals forces