Table 1.
Halogen- and hydrogen-bond data [Å ,°] for monoclinic form (I) and triclinic form (II).
| C−Cl···O | C−Cl | Cl···O | C−Cl···O | |
| (I) | ||||
| C36−Cl1···O18 i | 1.724(3) | 3.233(4) | 170.0(1) | |
| (II) | ||||
| C36A−Cl1A···O18A ii | 1.743(4) | 3.158(4)(4) | 161.8(2) | |
| C36B−Cl1B···O18B i | 1.723(5) | 3.033(9) | 162.4(3) | |
| D−H...A | d(D−H) | d(H···A) | d(D···A) | D−H···A |
| (I) | ||||
| O8−H8O···O9 | 0.84 | 2.28 | 2.719(2) | 112.9 |
| O13-H13O···O10 | 0.84 | 2.10 | 2.736(2) | 132.5 |
| O13-H13O···O8 | 0.84 | 2.18 | 2.907(2) | 144.5 |
| O15-H15O···O12 iii | 0.84 | 2.20 | 2.883(2) | 138.7 |
| O16-H16O···O15 iv | 0.84 | 2.24 | 2.954(3) | 143.6 |
| O16-H16O···O14 iv | 0.84 | 2.49 | 3.211(3) | 144.7 |
| (II) | ||||
| O3A-H3OA...O8B v | 0.84 | 2.187 | 2.754(3) | 124.8 |
| O8A-H8OA...O3B ii | 0.84 | 2.166 | 2.831(3) | 136.0 |
| O12A-H12O...O16A ii | 0.84 | 2.037 | 2.752(4) | 142.6 |
| O13A-H13O...O8A | 0.84 | 2.040 | 2.773(4) | 145.4 |
| O16A-H16O...O15B vi | 0.84 | 2.170 | 2.940(3) | 154.0 |
| O3B-H3OB...O5B vii | 0.84 | 2.187 | 2.754(3) | 124.8 |
| O8B-H8OB...O3A viii | 0.84 | 1.950 | 2.769(4) | 164.6 |
| O13B-H13O...O8B | 0.84 | 2.087 | 2.809(4) | 143.7 |
Symmetry code: i x, y, z−1; ii x, y, −z + 1 ; iii x + 1, y, z + 1; iv −x, y + 1/2, −z+1; v x, y, z + 1; vi x, y + 1, z; vii x−1, y, z; viii x, y−1, z−1.