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