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. 2022 Oct 20;7(43):39294–39309. doi: 10.1021/acsomega.2c05441

Table 3. Hydrogen-Bond Geometry (Å, deg) along with the C–O···π Interactions in PBMPa.

D–H···A D–H H···A D···A ∠(D—H···A) (deg)
C8–H8C···O1 0.98 2.40 2.8467 (17) 107
C8–H8B···O1i 0.98 2.71 3.6237 (18) 156
C–O···π C–O O···π C···π ∠(C–O···π) (deg)
C6–O1···Cg1ii 1.2269(15) 3.5116(13) 3.6820(15) 88.14(9)
C6–O1···Cg1iii 1.2269(15) 3.5116(13) 3.6820(15) 88.14(9)
a

Symmetry codes: (i) x + 1, y, z; (ii) 1 + x, y, 1 + z; (iii) 1 – x, −y, 2–z. Cg1 is the centroid of phenyl ring (C10–C15).