Skip to main content
. 2014 Jul 23;9(7):e101892. doi: 10.1371/journal.pone.0101892

Table 2. Hydrogen-bonding geometry (Å) for compound HEA-pABA.

No. of HB D−HA d(DH), Å d(HA), Å d(D A), Å ∠(DHA), deg. Symmetry transformation for H-acceptor
1 N(1)–HO(3) 0.89 1.91 2.801(3) 175 x+2, −y, −z+2
2 N(1)–HN(2) 0.89 2.22 3.051(4) 155 x, −y+1/2, z+1/2
3 N(1)–HO(2) 0.89 1.87 2.752(3) 171 x, y, z
4 O(1)–HO(3) 0.82 1.90 2.715(3) 176 x, y, z
5 N(2)–HO(1) 0.91(3) 2.29(3) 3.087(3) 146 x+2, y−1/2, −z+1/2
6 N(2)–HO(3) 0.82(3) 2.20(3) 3.025(3) 174 x+1/2, y, −z+1/2
7 C(2)–HO(2) 0.97 2.41 3.247(3) 145 x−1/2, −y+1/2, −z+1