Table 2. Summary of single-crystal X-ray diffraction data (Å, °).
Slip angle between Pc aromatic = angle between centroid-to-centroid and normal of each aromatic Pc benzene; angle between aromatic planes = smallest angle between both planes that contain the stacking aromatic benzene rings.
| Compound | details of packing | shortest distance between Pc aromatic | slip angle between Pc aromatic | angle between aromatic planes | Reference |
|---|---|---|---|---|---|
| Cl2—SiPc | dual benzene ring stacking | 4.172, 4.172 | 34.87 / 36.59 | 1.72 | Lessard, White et al. (2015 ▸) |
| (3MP)2-SiPc | isoindoline stacking | 3.794, 3.655, 3.794 | 22.33 / 22.53 | 0.21 | This work |
| (345F)2-SiPc | isoindoline stacking | 3.716, 3.580, 3.716 | 18.90 / 18.90 | 0 | Lessard, Grant et al., (2015 ▸) |
| (246F)2-SiPc | dual benzene ring stacking | 3.860, 3.860 | 30.08 / 30.08 | 0 | Lessard, Grant et al. (2015 ▸) |
| (3IP)2-SiPc | dual benzene ring stacking | 3.716, 3.716 | 17.55/14.60 | 10.9 | This work |
| (2secBP)2—SiPc | dual benzene ring stacking | 3.947, 3.947 | 32.53/26.02 | 6.5 | This work |
Notes: in all cases the single crystals were grown by slow diffusion of heptane into a THF solution of the respective compound. Identical crystals of (3MP)2-SiPc were also grown by diffusion of pentane into a solution of benzene as well as from slow evaporation of a chloroform solution.