Table 2 Geometric parameters describing of T-shape of DBP-DEPN∙guest
From: A molecular T-pentomino for separating BTEX hydrocarbons
CH2Cl2 solvate | Ethylbenzene | Toluene | Benzene | |
|---|---|---|---|---|
Catecholate twist (o) | 117.6(1), 156.7(1) | 155.5(3), 151(1) | 122.8(1), 128.3(1) | 155.5(1), 154.0(2) |
Pyridyl twist (o) | 117.5(1), 135.8(1) | 138.5(2), 145.8(2) | 133.7(8), 146.0(8) | 132.4(1), 124(1) |
N…N separation (Å) | 5.999(4) | 5.950(5) | 5.968(3) | 5.952(4) |
Solvent accessible surface (Å3) | 224.63 | 217.31 | 203.83 | 186.27 |
