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. 2021 Aug 18;6(34):22357–22366. doi: 10.1021/acsomega.1c03078

Table 2. Hydrogen Bonding Geometrical Parameters and C–H···π and C–O···π Interactions (Å, °) for Aa.

D–H···A D–H H···A D···A <(D–H···A) (deg)
N2–H2A···O1i 0.89 1.95 2.838 (4) 173
C18–H18···O1i 0.93 2.50 3.305 (5) 144
N2–H2B···O2ii 0.89 1.87 2.736 (4) 165
N2–H2C···O2iii 0.89 1.92 2.776 (4) 161
C7–H7···O2iv 0.93 2.51 3.289 (5) 142
C–H···π C–H H···π C···π <(C–H···π) (deg)
C16–H16A···Cg(1)v 0.97 2.61 3.539 (5) 71
C–O···π C–O O···π C···π <(C–O···π) (deg)
C1–O1···Cg(2)vi 1.230 (4) 3.437 (3) 3.723 (4) 93.6 (2)
a

Symmetry codes: (i) x + 1, y – 1, z; (ii) x + 1, −y + 2, z – 1/2; (iii) x + 1, −y + 1, z – 1/2; (iv) x, −y + 2, z – 1/2; (v) x, y – 1, z; and (vi) x, y + 1, z. Here, Cg(1) is the centroid of the phenyl ring of the cation (C17–C22) and Cg(2) is the phenyl ring of the anion (C2–C7).