Figure 1
(a) The molecular structure of BDHFI, 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 BDHFI, mapped over dnorm (−0.10 to 1.40 Å, same throughout this article). Four red spots correspond to N5—H35⋯N1(−x + 2, y + , −z + ) (marked a) and N6—H36⋯π (marked b) interactions, respectively. (c) The shape-index surface of BDHFI, identifying π–π stacking interactions (marked c). Only red and blue triangles on the surface are shown for clarity. (d) Hydrogen bonds a (green dashed lines) and b (red dashed lines) link molecules into infinite 1D chains parallel to the crystallographic b and a axes, respectively, viewed along the crystallographic [8, , 17] direction. Eight molecules are illustrated by the simplified structure (centre of gravity) for clarity and the two colours (red and green) represent two different orientations. |