2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl) (BRL) Summary
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- 2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl) (BRL) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | S1.1-C2.8-N3.5-C4.98-4-7-0 S1.9-C2.5-N3.8-C4.1 | -0.067 | Rigid Ring |
| 2 | S1.1-C5.10-C4.9-O4.32-8-9-0 S1.3-C5.9-C4.10-O4.1 | 179.476 | Rigid |
| 3 | S1.1-C5.10-C4.9-N3.54-8-9-0 S1.5-C5.9-C4.10-N3.1 | -0.038 | Rigid Ring |
| 4 | S1.1-C5.10-C6.11-C7.1211-10-9-0 S1.12-C5.11-C6.10-C7.1 | -67.194 | Flexible |
| 5 | O2.2-C2.8-N3.5-C4.98-4-7-1 O2.9-C2.5-N3.8-C4.2 | -179.713 | Rigid |
| 6 | O4.3-C4.9-N3.5-C2.87-4-8-2 O4.8-C4.5-N3.9-C2.3 | -179.455 | Rigid |
| 7 | O4.3-C4.9-C5.10-C6.1110-9-8-2 O4.11-C4.10-C5.9-C6.3 | -61.635 | Rigid |
| 8 | O13.4-C10.15-C9.14-C8.1312-13-14-3 O13.13-C10.14-C9.15-C8.4 | 179.865 | Rigid |
| 9 | O13.4-C10.15-C11.16-C12.1716-15-14-3 O13.17-C10.16-C11.15-C12.4 | -179.932 | Rigid |
| 10 | O13.4-C14.18-C15.19-N16.65-18-17-3 O13.6-C14.19-C15.18-N16.4 | -82.54 | Flexible |
| 11 | N3.5-C4.9-C5.10-C6.1110-9-8-4 N3.11-C4.10-C5.9-C6.5 | 118.85 | Rigid |
| 12 | N16.6-C17.21-N18.7-C19.2221-6-20-5 N16.22-C17.7-N18.21-C19.6 | -179.947 | Rigid |
| 13 | N16.6-C17.21-C22.25-C21.2423-24-20-5 N16.24-C17.25-C22.21-C21.6 | -179.993 | Rigid |
| 14 | N18.7-C17.21-N16.6-C15.1918-5-20-6 N18.19-C17.6-N16.21-C15.7 | -4.087 | Flexible |
| 15 | N18.7-C17.21-N16.6-C16.2019-5-20-6 N18.20-C17.6-N16.21-C16.7 | 175.518 | Flexible |
| 16 | N18.7-C17.21-C22.25-C21.2423-24-20-6 N18.24-C17.25-C22.21-C21.7 | 0.125 | Rigid Ring |
| 17 | N18.7-C19.22-C20.23-C21.2423-22-21-6 N18.24-C19.23-C20.22-C21.7 | -0.03 | Rigid Ring |
| 18 | C2.8-S1.1-C5.10-C4.98-9-0-7 C2.9-S1.10-C5.1-C4.8 | 0.001 | Rigid Ring |
| 19 | C2.8-S1.1-C5.10-C6.1110-9-0-7 C2.11-S1.10-C5.1-C6.8 | -120.865 | Rigid |
| 20 | C2.8-N3.5-C4.9-C5.109-8-4-7 C2.10-N3.9-C4.5-C5.8 | 0.068 | Rigid Ring |
| 21 | C4.9-C5.10-C6.11-C7.1211-10-9-8 C4.12-C5.11-C6.10-C7.9 | 177.38 | Flexible |
| 22 | C5.10-S1.1-C2.8-O2.21-7-0-9 C5.2-S1.8-C2.1-O2.10 | 179.679 | Rigid |
| 23 | C5.10-S1.1-C2.8-N3.54-7-0-9 C5.5-S1.8-C2.1-N3.10 | 0.037 | Rigid Ring |
| 24 | C5.10-C6.11-C7.12-C8.1312-11-10-9 C5.13-C6.12-C7.11-C8.10 | -85.451 | Flexible |
| 25 | C5.10-C6.11-C7.12-C12.1716-11-10-9 C5.17-C6.12-C7.11-C12.10 | 94.52 | Flexible |
| 26 | C6.11-C7.12-C8.13-C9.1413-12-11-10 C6.14-C7.13-C8.12-C9.11 | 179.943 | Rigid |
| 27 | C6.11-C7.12-C12.17-C11.1615-16-11-10 C6.16-C7.17-C12.12-C11.11 | -179.962 | Rigid |
| 28 | C7.12-C8.13-C9.14-C10.1514-13-12-11 C7.15-C8.14-C9.13-C10.12 | -0.178 | Rigid Ring |
| 29 | C7.12-C12.17-C11.16-C10.1514-15-16-11 C7.15-C12.16-C11.17-C10.12 | 0.223 | Rigid Ring |
| 30 | C8.13-C7.12-C12.17-C11.1615-16-11-12 C8.16-C7.17-C12.12-C11.13 | 0.009 | Rigid Ring |
| 31 | C8.13-C9.14-C10.15-C11.1615-14-13-12 C8.16-C9.15-C10.14-C11.13 | 0.402 | Rigid Ring |
| 32 | C9.14-C8.13-C7.12-C12.1716-11-12-13 C9.17-C8.12-C7.13-C12.14 | -0.028 | Rigid Ring |
| 33 | C9.14-C10.15-O13.4-C14.1817-3-14-13 C9.18-C10.4-O13.15-C14.14 | 31.611 | Flexible |
| 34 | C9.14-C10.15-C11.16-C12.1716-15-14-13 C9.17-C10.16-C11.15-C12.14 | -0.422 | Rigid Ring |
| 35 | C10.15-O13.4-C14.18-C15.1918-17-3-14 C10.19-O13.18-C14.4-C15.15 | 159.942 | Flexible |
| 36 | C11.16-C10.15-O13.4-C14.1817-3-14-15 C11.18-C10.4-O13.15-C14.16 | -148.914 | Flexible |
| 37 | C14.18-C15.19-N16.6-C16.2019-5-18-17 C14.20-C15.6-N16.19-C16.18 | 104.816 | Flexible |
| 38 | C14.18-C15.19-N16.6-C17.2120-5-18-17 C14.21-C15.6-N16.19-C17.18 | -75.572 | Flexible |
| 39 | C15.19-N16.6-C17.21-C22.2524-20-5-18 C15.25-N16.21-C17.6-C22.19 | 176.034 | Flexible |
| 40 | C16.20-N16.6-C17.21-C22.2524-20-5-19 C16.25-N16.21-C17.6-C22.20 | -4.361 | Flexible |
| 41 | C17.21-N18.7-C19.22-C20.2322-21-6-20 C17.23-N18.22-C19.7-C20.21 | 0.018 | Rigid Ring |
| 42 | C17.21-C22.25-C21.24-C20.2322-23-24-20 C17.23-C22.24-C21.25-C20.21 | -0.139 | Rigid Ring |
| 43 | C19.22-N18.7-C17.21-C22.2524-20-6-21 C19.25-N18.21-C17.7-C22.22 | -0.064 | Rigid Ring |
| 44 | C19.22-C20.23-C21.24-C22.2524-23-22-21 C19.25-C20.24-C21.23-C22.22 | 0.091 | Rigid Ring |
Dihedrals Histogram