Figure 5
The Hirshfeld surface mapped with shape index (property range: −1.0 to +1.0 arbitrary units) for (a) a DTBA dimer, (b) a benzoic acid fragment in the opposite view of the DTBA dimer shown in (a), (c) a DTBA⋯DMF dimer and (d) a benzoic acid fragment in the opposite view of the DTBA⋯DMF dimer shown in (c). The Hirshfeld surface mapped with curvedness (property range: −4.0 to +0.4 arbitrary units) for the (e) π(C8–C13)⋯quasi-(⋯O4–C14–O3–H3O)2 interaction and (f) π(C2–C7)⋯quasi-(O2–C1–O1–H1O⋯O5–C15–H15) interaction. Both shape index and curvedness studies reveal the shape complementarity (as circled for the concave and convex represented by the red and blue regions in shape index) for the stacking arrangements between the corresponding ring systems. |