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. 2016 Jun 21;72(Pt 7):988–994. doi: 10.1107/S205698901600935X

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.