Table 4 Bond metrics for X (X = Cl,Br) involved non covalent interactions in complexes 1-5
Complex | Presence of X (X = Cl,Br) involved non covalent interactions | Type of interaction | Distance in Å | θ1(°) | θ 2(°) | |
|---|---|---|---|---|---|---|
1 | √ | (d) C-Cl∙∙∙π | C5 -Cl1∙∙∙ Cg3 | 3.5167 (19) | 173.61 (15) | |
2,5 | Not involved | |||||
3 | √ | (c) C-H∙∙∙Cl | C4-H4∙∙∙Cl1 | 2.81 | 146.42 | 130.75 |
(d) C-Cl∙∙∙π | C5-Cl1∙∙∙Cg3 | 3.8566 (18) | 93.99 (12) | |||
(d) C-Cl∙∙∙π | C5-Cl1∙∙∙Cg5 | 3.9010 (18) | 65.46 (12) | |||
(d) C-Cl∙∙∙π | C10-Cl2∙∙∙Cg1 | 3.8632 (19) | 131.18 (15) | |||
4 | √ | (c) C-H∙∙∙Br | C22-H22A∙∙∙Br1 | 2.8700 | 162.19 | 71.83 |
(d) C-Br∙∙∙π | C(5)-Br(1)∙∙∙Cg(4) | 3.462 (2) | 86.36(13) | |||