Table 3. Bond lengths (Å) and angles (°) for HEA-pABA.
N(1)-C(1) | 1.481(3) |
O(1)-C(2) | 1.409(3) |
C(1)-C(2) | 1.495(4) |
N(2)-C(6) | 1.404(3) |
O(2)-C(9) | 1.257(3) |
O(3)-C(9) | 1.281(3) |
C(3)-C(4) | 1.384(3) |
C(3)-C(8) | 1.391(3) |
C(3)-C(9) | 1.492(3) |
C(4)-C(5) | 1.377(3) |
C(5)-C(6) | 1.387(4) |
C(6)-C(7) | 1.389(4) |
C(7)-C(8) | 1.379(3) |
N(1)-C(1)-C(2) | 112.1(3) |
O(1)-C(2)-C(1) | 113.9(3) |
C(4)-C(3)-C(8) | 117.8(2) |
C(4)-C(3)-C(9) | 121.8(2) |
C(8)-C(3)-C(9) | 120.3(3) |
C(5)-C(4)-C(3) | 121.4(3) |
C(4)-C(5)-C(6) | 120.7(3) |
C(5)-C(6)-C(7) | 118.3(2) |
C(5)-C(6)-N(2) | 121.5(3) |
C(7)-C(6)-N(2) | 120.1(3) |
C(8)-C(7)-C(6) | 120.7(3) |
C(7)-C(8)-C(3) | 121.1(3) |
O(2)-C(9)-O(3) | 122.9(3) |
O(2)-C(9)-C(3) | 118.6(3) |
O(3)-C(9)-C(3) | 118.5(3) |