No. | Type | Residue | Donor–H…A | [ARU]a | D–H | H…A | D…A | D–H…A |
---|---|---|---|---|---|---|---|---|
1 |  | 1 | N2A—H2A…N3B | [1655.02] | 0.887 (15) | 2.167 (15) | 3.0430 (17) | 169.4 (16) |
2 |  | 2 | N2B—H2B…N3A | [1555.01] | 0.920 (16) | 2.161 (15) | 3.0682 (17) | 168.6 (15) |
3 |  | 1 | N2A—H3A…N1B | [1555.02] | 0.922 (15) | 2.141 (15) | 3.0582 (16) | 173.1 (14) |
4 |  | 2 | N2B—H3B…N1A | [1455.01] | 0.911 (15) | 2.138 (15) | 3.0436 (16) | 172.7 (14) |
5 |  | 1 | N4A—H4A…N8A | [1455.01] | 0.92 (2) | 2.43 (2) | 3.1159 (17) | 131.3 (15) |
6 |  | 2 | N4B—H4B…N8B | [1455.02] | 0.90 (2) | 2.46 (2) | 3.1130 (17) | 130.4 (14) |
7 | INTRA | 1 | N4A—H5A…N5A | [–] | 0.921 (18) | 2.399 (15) | 2.7668 (16) | 103.7 (11) |
8 |  | 1 | N4A—H5A…N7A | [1455.01] | 0.921 (18) | 2.597 (16) | 3.1791 (18) | 121.7 (12) |
9 | INTRA | 2 | N4B—H5B…N5B | [–] | 0.916 (18) | 2.412 (15) | 2.7762 (17) | 103.7 (11) |
10 |  | 1 | N7A—H6A…N2B | [2767.02] | 0.909 (18) | 2.338 (17) | 3.0426 (17) | 134.3 (14) |
11 |  | 2 | N7B—H6B…N2A | [2776.01] | 0.889 (18) | 2.323 (18) | 3.0323 (17) | 136.7 (14) |
12 |  | 1 | N7A—H7A…N8A | [2867.01] | 0.905 (16) | 2.146 (16) | 3.0473 (17) | 173.5 (15) |
13 |  | 2 | N7B—H7B…N8B | [2776.02] | 0.913 (16) | 2.125 (16) | 3.0288 (17) | 170.1 (15) |
14 | INTRA | 2 | C6PB–H6PB…N7B | [–] | 0.973 (15) | 2.544 (15) | 2.9913 (19) | 108.0 (11) |
15 | INTRA | 1 | C6PA–H6PA…N7A | [–] | 0.973 (15) | 2.597 (16) | 3.0149 (19) | 106.1 (11) |