Figure 2
(a) The molecular structure of BDHAI, showing the atom-labelling scheme, with displacement ellipsoids for non-H atoms drawn at the 30% probability level at 293 K. (b) The Hirshfeld surface for BDHAI, mapped over dnorm. Four red spots correspond to N6—H36⋯N4(−x, −y + 1, −z + 1) (marked a) and N5—H35⋯π (marked b) interactions, respectively. (c) The shape-index surface of BDHAI, identifying π–π stacking interactions (marked c and d). Only red and blue triangles on the surface are shown for clarity. (d) Four kinds of NCIs, i.e. a, b, c and d (shown with red, green, purple and yellow dashed lines, respectively), link BDHAI molecules into an infinite 1D chain extending roughly along the [11] direction, viewed along the [7, , 7] direction. |