2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid (FLF) Summary
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- 2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid (FLF) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.3-C3.4-C4.65-3-2-0 C1.6-C2.4-C3.3-C4.1 | -0.592 | Rigid Ring |
| 2 | C1.1-C6.8-C5.7-C4.65-6-7-0 C1.6-C6.7-C5.8-C4.1 | 0.076 | Rigid Ring |
| 3 | C1.1-C6.8-N.10-C1'.1110-9-7-0 C1.11-C6.10-N.8-C1'.1 | -173.722 | Flexible |
| 4 | C2.3-C1.1-C6.8-C5.76-7-0-2 C2.7-C1.8-C6.1-C5.3 | 0.103 | Rigid Ring |
| 5 | C2.3-C1.1-C6.8-N.109-7-0-2 C2.10-C1.8-C6.1-N.3 | 179.526 | Rigid |
| 6 | C2.3-C1.1-C7.9-O1.21-8-0-2 C2.2-C1.9-C7.1-O1.3 | -143.373 | Flexible |
| 7 | C2.3-C1.1-C7.9-O2.54-8-0-2 C2.5-C1.9-C7.1-O2.3 | 34.768 | Flexible |
| 8 | C2.3-C3.4-C4.6-C5.76-5-3-2 C2.7-C3.6-C4.4-C5.3 | 0.797 | Rigid Ring |
| 9 | C3.4-C4.6-C5.7-C6.87-6-5-3 C3.8-C4.7-C5.6-C6.4 | -0.528 | Rigid Ring |
| 10 | C4.6-C5.7-C6.8-N.109-7-6-5 C4.10-C5.8-C6.7-N.6 | -179.35 | Rigid |
| 11 | C5.7-C6.8-N.10-C1'.1110-9-7-6 C5.11-C6.10-N.8-C1'.7 | 5.677 | Flexible |
| 12 | C6.8-C1.1-C2.3-C3.43-2-0-7 C6.4-C1.3-C2.1-C3.8 | 0.156 | Rigid Ring |
| 13 | C6.8-C1.1-C7.9-O1.21-8-0-7 C6.2-C1.9-C7.1-O1.8 | 36.267 | Flexible |
| 14 | C6.8-C1.1-C7.9-O2.54-8-0-7 C6.5-C1.9-C7.1-O2.8 | -145.593 | Flexible |
| 15 | C6.8-N.10-C1'.11-C2'.1211-10-9-7 C6.12-N.11-C1'.10-C2'.8 | -108.753 | Flexible |
| 16 | C6.8-N.10-C1'.11-C6'.1615-10-9-7 C6.16-N.11-C1'.10-C6'.8 | 72.918 | Flexible |
| 17 | C7.9-C1.1-C2.3-C3.43-2-0-8 C7.4-C1.3-C2.1-C3.9 | 179.8 | Rigid |
| 18 | C7.9-C1.1-C6.8-C5.76-7-0-8 C7.7-C1.8-C6.1-C5.9 | -179.526 | Rigid |
| 19 | C7.9-C1.1-C6.8-N.109-7-0-8 C7.10-C1.8-C6.1-N.9 | -0.102 | Rigid |
| 20 | N.10-C1'.11-C2'.12-C3'.1312-11-10-9 N.13-C1'.12-C2'.11-C3'.10 | -178.732 | Rigid |
| 21 | N.10-C1'.11-C6'.16-C5'.1514-15-10-9 N.15-C1'.16-C6'.11-C5'.10 | 178.812 | Rigid |
| 22 | C1'.11-C2'.12-C3'.13-C4'.1413-12-11-10 C1'.14-C2'.13-C3'.12-C4'.11 | -0.035 | Rigid Ring |
| 23 | C1'.11-C2'.12-C3'.13-C7'.1716-12-11-10 C1'.17-C2'.13-C3'.12-C7'.11 | -179.86 | Rigid |
| 24 | C1'.11-C6'.16-C5'.15-C4'.1413-14-15-10 C1'.14-C6'.15-C5'.16-C4'.11 | 0.003 | Rigid Ring |
| 25 | C2'.12-C1'.11-C6'.16-C5'.1514-15-10-11 C2'.15-C1'.16-C6'.11-C5'.12 | 0.447 | Rigid Ring |
| 26 | C2'.12-C3'.13-C4'.14-C5'.1514-13-12-11 C2'.15-C3'.14-C4'.13-C5'.12 | 0.49 | Rigid Ring |
| 27 | C2'.12-C3'.13-C7'.17-F1.1817-16-12-11 C2'.18-C3'.17-C7'.13-F1.12 | -2.223 | Flexible |
| 28 | C2'.12-C3'.13-C7'.17-F2.1918-16-12-11 C2'.19-C3'.17-C7'.13-F2.12 | -121.354 | Flexible |
| 29 | C2'.12-C3'.13-C7'.17-F3.2019-16-12-11 C2'.20-C3'.17-C7'.13-F3.12 | 118.899 | Flexible |
| 30 | C3'.13-C2'.12-C1'.11-C6'.1615-10-11-12 C3'.16-C2'.11-C1'.12-C6'.13 | -0.43 | Rigid Ring |
| 31 | C3'.13-C4'.14-C5'.15-C6'.1615-14-13-12 C3'.16-C4'.15-C5'.14-C6'.13 | -0.477 | Rigid Ring |
| 32 | C4'.14-C3'.13-C7'.17-F1.1817-16-12-13 C4'.18-C3'.17-C7'.13-F1.14 | 177.95 | Flexible |
| 33 | C4'.14-C3'.13-C7'.17-F2.1918-16-12-13 C4'.19-C3'.17-C7'.13-F2.14 | 58.82 | Flexible |
| 34 | C4'.14-C3'.13-C7'.17-F3.2019-16-12-13 C4'.20-C3'.17-C7'.13-F3.14 | -60.927 | Flexible |
| 35 | C5'.15-C4'.14-C3'.13-C7'.1716-12-13-14 C5'.17-C4'.13-C3'.14-C7'.15 | -179.676 | Rigid |
Dihedrals Histogram