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) |
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).