Table 2. Hydrogen Bonds of NBBSH Compounds.
compounds | D | H | A | d(D–H) (Å) | d(H–A) (Å) | d(D–A) (Å) | D–H–A (deg) |
---|---|---|---|---|---|---|---|
3 | C7 | H7 | O2 | 0.93 | 2.23 | 2.770 (2) | 116.4 |
C13 | H13 | O11 | 0.93 | 2.65 | 3.569 (3) | 170.1 | |
N3 | H1 | O21 | 0.83 (2) | 2.24 (2) | 3.065 (2) | 172 (2) | |
1–x, −y, 1 – z | |||||||
4 | C6 | H6 | N11 | 0.93 | 2.58 | 3.424 (3) | 150.7 |
N1 | H1N | O11 | 0.82 (3) | 2.10 (3) | 2.920 (2) | 173 (2) | |
13/2 – x, 1/2 + y, 3/2 – z | |||||||
5 | N1 | H1N | O11 | 0.83 (2) | 2.15 (2) | 2.973 (2) | 171 (2) |
C9 | H9 | O22 | 0.93 | 2.45 | 3.296 (3) | 151.9 | |
C7 | H7 | O22 | 0.93 | 2.58 | 3.379 (3) | 144.5 | |
1–x, 1/2 + y, 3/2 – z; 2+x, 1 + y, +z |