Figure 3
(a) The molecular structure of BDHMFI, showing the atom-labelling scheme, with displacement ellipsoids for non-H atoms drawn at the 30% probability level at 293 K [symmetry code: (A) −x + 2, −y, −z]. (b) The dimer structure formed by two BDHMFI molecules and one disordered acetonitrile molecule through hydrogen bonds a (two red spots on the dnorm Hirshfeld surface). (c) The shape-index surface of BDHMFI, identifying π–π stacking interaction b. Only red and blue triangles on the surface are shown for clarity. (d) NCIs a and b (shown with red and green dashed lines, respectively) link BDHMFI molecules into an infinite 1D chain extending roughly along the [10] direction, viewed along the [1, 9, ] direction. |