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. 2018 Sep 4;23(9):2249. doi: 10.3390/molecules23092249

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.