Table 3.
Hydrogen bonding and C-H···Cg interactions geometry.
Hydrogen Bond [Å, °] | ||||
D-H···A | d(D-H) | d(H···A) | d(D···A) | DHA |
N1-H1N···N2 i | 0.88(3) | 2.41(3) | 3.217(3) | 154(2) |
C-H···Cg interactions [Å, °] | ||||
C-H···Cg | d(D-H) | d(H···Cg) | d(C···Cg) | CHCg |
C4-H4B···Cg1 ii | 0.97 | 2.94 | 3.567(3) | 124 |
C19-H19C···Cg4 iii | 0.96 | 3.00 | 3.799(3) | 142 |
Symmetry codes: (i) x − 1/2, −y + 1/2, −z + 1; (ii) x − 1/2, −y + 1/2, −z + 1; (iii) x + 1, y, z; Cg1 and Cg4 are the centroids of the N1/C1/C2/C15/C22 and C15/C16/C17/C20/C21/C22 rings, respectively.