Skip to main content

Advertisement

Table 2 Selected interatomic distances [Å] and dihedral angles [º]a of the studied compounds

From: Structural determinants influencing halogen bonding: a case study on azinesulfonamide analogs of aripiprazole as 5-HT1A, 5-HT7, and D2 receptor ligands

Compound N+···Nsulfon τ1 τ2 τ3 τ4 τ5 τ6 Ф
2 5.47 − 113.7 − 69.0 179.4 − 174.8 53.7 − 147.5 20.6
3 5.48 − 156.3 74.4 − 170.5 − 176.5 − 49.5 159.2 47.1
4 5.48 − 155.7 73.9 − 171.4 − 176.2 − 50.5 158.8 48.0
5 5.00 − 119.3 − 65.1 − 72.7 178.3 − 53.7 − 143.8 62.8
6 4.39 − 102.7 − 68.3 179.7 − 55.1 154.6 51.5
  1. a For the definition of dihedral angles see Fig. 3