3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic acid (STC) Summary
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- 3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic acid (STC) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | N1.1-C2.2-C3.3-C5.54-2-1-0 N1.5-C2.3-C3.2-C5.1 | -179.218 | Rigid |
| 2 | N1.1-C2.2-C4.4-C6.65-3-1-0 N1.6-C2.4-C4.2-C6.1 | 179.272 | Rigid |
| 3 | N1.1-S13.9-C15.10-C18.1312-9-8-0 N1.13-S13.10-C15.9-C18.1 | 53.153 | Rigid |
| 4 | N1.1-S13.9-C15.10-C19.1413-9-8-0 N1.14-S13.10-C15.9-C19.1 | -126.762 | Rigid |
| 5 | C2.2-N1.1-S13.9-C15.109-8-0-1 C2.10-N1.9-S13.1-C15.2 | 81.48 | Flexible |
| 6 | C2.2-N1.1-S13.9-O16.1110-8-0-1 C2.11-N1.9-S13.1-O16.2 | -158.167 | Flexible |
| 7 | C2.2-N1.1-S13.9-O17.1211-8-0-1 C2.12-N1.9-S13.1-O17.2 | -38.502 | Flexible |
| 8 | C2.2-C3.3-C5.5-C7.76-4-2-1 C2.7-C3.5-C5.3-C7.2 | -0.056 | Rigid Ring |
| 9 | C2.2-C4.4-C6.6-C7.76-5-3-1 C2.7-C4.6-C6.4-C7.2 | -0.054 | Rigid Ring |
| 10 | C3.3-C2.2-C4.4-C6.65-3-1-2 C3.6-C2.4-C4.2-C6.3 | -0.502 | Rigid Ring |
| 11 | C3.3-C5.5-C7.7-C6.65-6-4-2 C3.6-C5.7-C7.5-C6.3 | -0.501 | Rigid Ring |
| 12 | C3.3-C5.5-C7.7-CL8.87-6-4-2 C3.8-C5.7-C7.5-CL8.3 | 179.116 | Rigid |
| 13 | C4.4-C2.2-C3.3-C5.54-2-1-3 C4.5-C2.3-C3.2-C5.4 | 0.558 | Rigid Ring |
| 14 | C4.4-C6.6-C7.7-C5.54-6-5-3 C4.5-C6.7-C7.6-C5.4 | 0.556 | Rigid Ring |
| 15 | C4.4-C6.6-C7.7-CL8.87-6-5-3 C4.8-C6.7-C7.6-CL8.4 | -179.06 | Rigid |
| 16 | S13.9-N1.1-C2.2-C3.32-1-0-8 S13.3-N1.2-C2.1-C3.9 | -91.852 | Flexible |
| 17 | S13.9-N1.1-C2.2-C4.43-1-0-8 S13.4-N1.2-C2.1-C4.9 | 88.372 | Flexible |
| 18 | S13.9-C15.10-C18.13-S20.1514-12-9-8 S13.15-C15.13-C18.10-S20.9 | 179.853 | Rigid |
| 19 | S13.9-C15.10-C18.13-C21.1615-12-9-8 S13.16-C15.13-C18.10-C21.9 | -0.155 | Rigid |
| 20 | S13.9-C15.10-C19.14-C22.1716-13-9-8 S13.17-C15.14-C19.10-C22.9 | 179.992 | Rigid |
| 21 | C15.10-C18.13-S20.15-C22.1716-14-12-9 C15.17-C18.15-S20.13-C22.10 | 0.296 | Rigid Ring |
| 22 | C15.10-C18.13-C21.16-O23.1817-15-12-9 C15.18-C18.16-C21.13-O23.10 | -0.215 | Rigid |
| 23 | C15.10-C18.13-C21.16-O24.1918-15-12-9 C15.19-C18.16-C21.13-O24.10 | 179.724 | Rigid |
| 24 | C15.10-C19.14-C22.17-S20.1514-16-13-9 C15.15-C19.17-C22.14-S20.10 | 0.123 | Rigid Ring |
| 25 | O16.11-S13.9-C15.10-C18.1312-9-8-10 O16.13-S13.10-C15.9-C18.11 | -65.954 | Rigid |
| 26 | O16.11-S13.9-C15.10-C19.1413-9-8-10 O16.14-S13.10-C15.9-C19.11 | 114.131 | Flexible |
| 27 | O17.12-S13.9-C15.10-C18.1312-9-8-11 O17.13-S13.10-C15.9-C18.12 | 173.282 | Rigid |
| 28 | O17.12-S13.9-C15.10-C19.1413-9-8-11 O17.14-S13.10-C15.9-C19.12 | -6.633 | Rigid |
| 29 | C18.13-C15.10-C19.14-C22.1716-13-9-12 C18.17-C15.14-C19.10-C22.13 | 0.062 | Rigid Ring |
| 30 | C18.13-S20.15-C22.17-C19.1413-16-14-12 C18.14-S20.17-C22.15-C19.13 | -0.257 | Rigid Ring |
| 31 | C19.14-C15.10-C18.13-S20.1514-12-9-13 C19.15-C15.13-C18.10-S20.14 | -0.221 | Rigid Ring |
| 32 | C19.14-C15.10-C18.13-C21.1615-12-9-13 C19.16-C15.13-C18.10-C21.14 | 179.771 | Rigid |
| 33 | S20.15-C18.13-C21.16-O23.1817-15-12-14 S20.18-C18.16-C21.13-O23.15 | 179.776 | Rigid |
| 34 | S20.15-C18.13-C21.16-O24.1918-15-12-14 S20.19-C18.16-C21.13-O24.15 | -0.286 | Rigid |
| 35 | C21.16-C18.13-S20.15-C22.1716-14-12-15 C21.17-C18.15-S20.13-C22.16 | -179.697 | Rigid |
Dihedrals Histogram