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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