2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl)azo)benzoic acid (SAS) Summary
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- 2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl)azo)benzoic acid (SAS) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | 0.176 | Rigid Ring |
| 2 | C1.1-N1.6-C5.5-C4.43-4-5-0 C1.4-N1.5-C5.6-C4.1 | -0.402 | Rigid Ring |
| 3 | C1.1-N2.7-S1.8-O1.98-7-6-0 C1.9-N2.8-S1.7-O1.1 | -55.952 | Flexible |
| 4 | C1.1-N2.7-S1.8-O2.109-7-6-0 C1.10-N2.8-S1.7-O2.1 | -175.087 | Flexible |
| 5 | C1.1-N2.7-S1.8-C6.1110-7-6-0 C1.11-N2.8-S1.7-C6.1 | 71.08 | Flexible |
| 6 | C2.2-C1.1-N1.6-C5.54-5-0-1 C2.5-C1.6-N1.1-C5.2 | 0.223 | Rigid Ring |
| 7 | C2.2-C1.1-N2.7-S1.87-6-0-1 C2.8-C1.7-N2.1-S1.2 | 37.762 | Flexible |
| 8 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | -0.378 | Rigid Ring |
| 9 | C3.3-C4.4-C5.5-N1.65-4-3-2 C3.6-C4.5-C5.4-N1.3 | 0.482 | Rigid Ring |
| 10 | N1.6-C1.1-C2.2-C3.32-1-0-5 N1.3-C1.2-C2.1-C3.6 | -0.096 | Rigid Ring |
| 11 | N1.6-C1.1-N2.7-S1.87-6-0-5 N1.8-C1.7-N2.1-S1.6 | -141.268 | Flexible |
| 12 | N2.7-C1.1-C2.2-C3.32-1-0-6 N2.3-C1.2-C2.1-C3.7 | -179.075 | Rigid |
| 13 | N2.7-C1.1-N1.6-C5.54-5-0-6 N2.5-C1.6-N1.1-C5.7 | 179.21 | Rigid |
| 14 | N2.7-S1.8-C6.11-C7.1211-10-7-6 N2.12-S1.11-C6.8-C7.7 | -91.306 | Flexible |
| 15 | N2.7-S1.8-C6.11-C11.1615-10-7-6 N2.16-S1.11-C6.8-C11.7 | 92.111 | Flexible |
| 16 | S1.8-C6.11-C7.12-C8.1312-11-10-7 S1.13-C6.12-C7.11-C8.8 | -175.904 | Rigid |
| 17 | S1.8-C6.11-C11.16-C10.1514-15-10-7 S1.15-C6.16-C11.11-C10.8 | 175.869 | Rigid |
| 18 | O1.9-S1.8-C6.11-C7.1211-10-7-8 O1.12-S1.11-C6.8-C7.9 | 31.499 | Flexible |
| 19 | O1.9-S1.8-C6.11-C11.1615-10-7-8 O1.16-S1.11-C6.8-C11.9 | -145.084 | Flexible |
| 20 | O2.10-S1.8-C6.11-C7.1211-10-7-9 O2.12-S1.11-C6.8-C7.10 | 157.861 | Flexible |
| 21 | O2.10-S1.8-C6.11-C11.1615-10-7-9 O2.16-S1.11-C6.8-C11.10 | -18.722 | Flexible |
| 22 | C6.11-C7.12-C8.13-C9.1413-12-11-10 C6.14-C7.13-C8.12-C9.11 | -0.009 | Rigid Ring |
| 23 | C6.11-C11.16-C10.15-C9.1413-14-15-10 C6.14-C11.15-C10.16-C9.11 | 0.156 | Rigid Ring |
| 24 | C7.12-C6.11-C11.16-C10.1514-15-10-11 C7.15-C6.16-C11.11-C10.12 | -0.593 | Rigid Ring |
| 25 | C7.12-C8.13-C9.14-C10.1514-13-12-11 C7.15-C8.14-C9.13-C10.12 | -0.415 | Rigid Ring |
| 26 | C7.12-C8.13-C9.14-N3.1716-13-12-11 C7.17-C8.14-C9.13-N3.12 | 177.761 | Rigid |
| 27 | C8.13-C7.12-C6.11-C11.1615-10-11-12 C8.16-C7.11-C6.12-C11.13 | 0.523 | Rigid Ring |
| 28 | C8.13-C9.14-C10.15-C11.1615-14-13-12 C8.16-C9.15-C10.14-C11.13 | 0.336 | Rigid Ring |
| 29 | C8.13-C9.14-N3.17-N4.1817-16-13-12 C8.18-C9.17-N3.14-N4.13 | -179.59 | Flexible |
| 30 | C9.14-N3.17-N4.18-C12.1918-17-16-13 C9.19-N3.18-N4.17-C12.14 | 179.841 | Rigid |
| 31 | C10.15-C9.14-N3.17-N4.1817-16-13-14 C10.18-C9.17-N3.14-N4.15 | -1.522 | Flexible |
| 32 | C11.16-C10.15-C9.14-N3.1716-13-14-15 C11.17-C10.14-C9.15-N3.16 | -177.593 | Rigid |
| 33 | N3.17-N4.18-C12.19-C13.2019-18-17-16 N3.20-N4.19-C12.18-C13.17 | -3.26 | Flexible |
| 34 | N3.17-N4.18-C12.19-C17.2423-18-17-16 N3.24-N4.19-C12.18-C17.17 | 179.434 | Flexible |
| 35 | N4.18-C12.19-C13.20-C14.2120-19-18-17 N4.21-C12.20-C13.19-C14.18 | -177.399 | Rigid |
| 36 | N4.18-C12.19-C17.24-C16.2322-23-18-17 N4.23-C12.24-C17.19-C16.18 | 177.407 | Rigid |
| 37 | C12.19-C13.20-C14.21-C15.2221-20-19-18 C12.22-C13.21-C14.20-C15.19 | 0.586 | Rigid Ring |
| 38 | C12.19-C13.20-C14.21-C18.2524-20-19-18 C12.25-C13.21-C14.20-C18.19 | -179.118 | Rigid |
| 39 | C12.19-C17.24-C16.23-C15.2221-22-23-18 C12.22-C17.23-C16.24-C15.19 | -0.316 | Rigid Ring |
| 40 | C13.20-C12.19-C17.24-C16.2322-23-18-19 C13.23-C12.24-C17.19-C16.20 | -0.03 | Rigid Ring |
| 41 | C13.20-C14.21-C15.22-C16.2322-21-20-19 C13.23-C14.22-C15.21-C16.20 | -0.921 | Rigid Ring |
| 42 | C13.20-C14.21-C15.22-O3.2625-21-20-19 C13.26-C14.22-C15.21-O3.20 | 178.476 | Rigid |
| 43 | C13.20-C14.21-C18.25-O4.2726-24-20-19 C13.27-C14.25-C18.21-O4.20 | -0.065 | Flexible |
| 44 | C13.20-C14.21-C18.25-O5.2827-24-20-19 C13.28-C14.25-C18.21-O5.20 | -179.527 | Flexible |
| 45 | C14.21-C13.20-C12.19-C17.2423-18-19-20 C14.24-C13.19-C12.20-C17.21 | -0.128 | Rigid Ring |
| 46 | C14.21-C15.22-C16.23-C17.2423-22-21-20 C14.24-C15.23-C16.22-C17.21 | 0.805 | Rigid Ring |
| 47 | C15.22-C14.21-C18.25-O4.2726-24-20-21 C15.27-C14.25-C18.21-O4.22 | -179.734 | Flexible |
| 48 | C15.22-C14.21-C18.25-O5.2827-24-20-21 C15.28-C14.25-C18.21-O5.22 | 0.805 | Flexible |
| 49 | C16.23-C15.22-C14.21-C18.2524-20-21-22 C16.25-C15.21-C14.22-C18.23 | 178.748 | Rigid |
| 50 | C17.24-C16.23-C15.22-O3.2625-21-22-23 C17.26-C16.22-C15.23-O3.24 | -178.679 | Rigid |
| 51 | C18.25-C14.21-C15.22-O3.2625-21-20-24 C18.26-C14.22-C15.21-O3.25 | -1.854 | Rigid |
Dihedrals Histogram