Table 2. Inter­action energies.

N refers to the number of mol­ecules with an R mol­ecular centroid-to-centroid distance (Å). Energies are in kJ mol⁻¹.

N	primary inter­action	R	E′ele	E′pol	E′dis	E′rep	E tot
2	C—H⋯π	4.91	−13.6	−2.8	−83.5	43.2	−62.5
2	C—H⋯π	4.98	−13.5	−3.5	−76.1	38.7	−59.2
2	H⋯H	6.70	−8.2	−1.2	−38.2	18.1	−31.7
2	O1—H⋯O3	23.60	−34.2	−7.1	−10.6	33.0	−30.3
2	C—H⋯O1	27.25	−6.1	−1.3	−5.5	8.8	−6.8
2	C—H⋯O1	25.53	−1.9	−0.4	−4.4	1.6	−5.1

Scale factors used to determine E _tot: k _ele = 1.057, k _pol = 0.740, k _dis = 0.871, k _rep = 0.618 (Mackenzie et al., 2017 ▸). See Section 9 for calculation details.