Table 3. Bond Distances and Angles for the Interactions (O–H···O, O–H···π, C–H···π, and C–H···F) in I–VI.
| structure | # | H-bond | D–H (Å) | H···A (Å) | D···A (Å) | ∠DHA (deg) |
|---|---|---|---|---|---|---|
| I | 1 | O(12B)–H(12B)···O(12A) | 0.78(3) | 1.93(3) | 2.700(3) | 171(5) |
| 2 | O(12A)–H(12A)···O(11A) | 0.77(3) | 2.03(3) | 2.792(3) | 169(5) | |
| 3 | O(11A)–H(11A)···O(11B) | 0.79(3) | 2.01(3) | 2.773(3) | 163(5) | |
| II | 1 | O(12B)–H(12B)···O(20) | 0.88(3) | 1.80(3) | 2.670(3) | 171(3) |
| 2 | O(20)–H(20b)···O(11B) | 0.85(2) | 2.15(3) | 2.940(3) | 155(4) | |
| 3 | O(20)–H(20a)···O(12A) | 0.85(2) | 2.01(2) | 2.857(2) | 174(4) | |
| 4 | O(12A)–H(12A)···O(12B) | 0.86(3) | 1.97(3) | 2.776(2) | 155(2) | |
| 5 | O(11B)–H(11B)···π | 0.85(3) | 2.76(3) | 3.56(2) | 157(4) | |
| III | 1 | O(11)–H(11)···O(12) | 0.87(14) | 2.14(15) | 2.90(4) | 151(7) |
| 2 | O(12)–H(12)···O(11) | 1.07(11) | 1.70(11) | 2.77(2) | 172(8) | |
| IV | 1 | O(11B)–H(11B)···O(12A) | 0.84(2) | 1.98(2) | 2.742(2) | 151(2) |
| 2 | O(12A)–H(12A)···O(12B) | 0.89(2) | 1.96(2) | 2.814(2) | 161(2) | |
| 3 | O(12B)–H(12B)···O(11A) | 0.85(2) | 2.19(2) | 2.979(2) | 155(2) | |
| 4 | O(11A)–H(11A)···O(11B) | 0.84(2) | 2.00(2) | 2.819(2) | 164(2) | |
| 5 | C(6B)–H(6B)···F(A2) | 0.95(2) | 2.50(2) | 3.34(2) | 146(2) | |
| 6 | C(6A)–H(6A) ···Cg | 0.95(2) | 3.34(2) | 4.09(2) | 137(2) | |
| V | 1 | O(12)–H(12)···O(11) | 0.78(2) | 1.93(2) | 2.700(2) | 171(4) |
| 2 | O(11)–H(11)···π | 0.84(2) | 2.32(2) | 3.050(2) | 145(3) | |
| VI | 1 | O(23)–H(23)···O(12) | 0.886(18) | 1.88(2) | 2.763(2) | 175(3) |
| 2 | O(12)–H(12)···O(11) | 0.876(17) | 1.84(2) | 2.706(2) | 172(2) | |
| 3 | O(11)–H(11)···O(23) | 0.879(17) | 1.89(2) | 2.763(2) | 171(2) | |
| 4 | C(6)–H(6)···F(13b) | 0.93(2) | 2.63 | 3.473 | 150.6 |