Table 3. Specification of Intermolecular Hydrogen Bonds Observed in the EC-BTA Cocrystal.
| D–H···A | D–H (Å) | H···A (Å) | angle (deg) | symmetry |
|---|---|---|---|---|
| O6B–H12B···O4B | 0.819 | 2.020 | 147.14 | x, −1 + y, 1 + z |
| O6A–H12A···O4A | 0.822 | 2.067 | 145.66 | x, −1 + y, 1 + z |
| O3A–H6A···O2B | 0.821 | 1.935 | 171.49 | x, y, z |
| O3B–H6B···O2A | 0.949 | 1.784 | 175.03 | x, 1 + y, −1 + z |
| O4B–H8B···O1C | 0.822 | 1.955 | 156.51 | 2 + x, y, 1 + z |
| O4A–H8A···O3C | 0.796 | 2.030 | 155.80 | x, y, z |
| O3D···H2C–N2C | 0,860 | 2.067 | 164.00 | x, y, z |
| N1D–H1D···O2C | 0.860 | 2.167 | 158.46 | –1 + x, y, z |
| π···π | distance in face-to-face stacking | |||
| C5A···C3C | 3.387 | x, −1 + y, z | ||
| C4A···C2C | 3.384 | x, −1 + y, z | ||
| C7A···C1C | 3.385 | x, −1 + y, z | ||
| C2D···C11A | 3.362 | x, −1 + y, z | ||