N-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide (BFS) Summary
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- N-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide (BFS) 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 | -2.248 | Rigid Ring |
| 2 | C1.1-C6.6-C5.5-C4.43-4-5-0 C1.4-C6.5-C5.6-C4.1 | 0.584 | Rigid Ring |
| 3 | C1.1-C6.6-C5.5-F5.1918-4-5-0 C1.19-C6.5-C5.6-F5.1 | -178.939 | Rigid |
| 4 | C1.1-C.7-N.16-CE1.87-15-6-0 C1.8-C.16-N.7-CE1.1 | -174.385 | Rigid |
| 5 | C2.2-C1.1-C6.6-C5.54-5-0-1 C2.5-C1.6-C6.1-C5.2 | -1.164 | Rigid Ring |
| 6 | C2.2-C1.1-C.7-N.1615-6-0-1 C2.16-C1.7-C.1-N.2 | -175.505 | Flexible |
| 7 | C2.2-C1.1-C.7-O.1716-6-0-1 C2.17-C1.7-C.1-O.2 | 4.673 | Flexible |
| 8 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | 1.657 | Rigid Ring |
| 9 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | -0.821 | Rigid Ring |
| 10 | C3.3-C4.4-C5.5-F5.1918-4-3-2 C3.19-C4.5-C5.4-F5.3 | 178.701 | Rigid |
| 11 | C4.4-C3.3-C2.2-O2.1817-1-2-3 C4.18-C3.2-C2.3-O2.4 | 177.919 | Rigid |
| 12 | C6.6-C1.1-C2.2-C3.32-1-0-5 C6.3-C1.2-C2.1-C3.6 | 1.977 | Rigid Ring |
| 13 | C6.6-C1.1-C2.2-O2.1817-1-0-5 C6.18-C1.2-C2.1-O2.6 | -178.189 | Rigid |
| 14 | C6.6-C1.1-C.7-N.1615-6-0-5 C6.16-C1.7-C.1-N.6 | 4.737 | Flexible |
| 15 | C6.6-C1.1-C.7-O.1716-6-0-5 C6.17-C1.7-C.1-O.6 | -175.085 | Flexible |
| 16 | C.7-C1.1-C2.2-C3.32-1-0-6 C.3-C1.2-C2.1-C3.7 | -177.782 | Rigid |
| 17 | C.7-C1.1-C2.2-O2.1817-1-0-6 C.18-C1.2-C2.1-O2.7 | 2.053 | Rigid |
| 18 | C.7-C1.1-C6.6-C5.54-5-0-6 C.5-C1.6-C6.1-C5.7 | 178.597 | Rigid |
| 19 | C.7-N.16-CE1.8-CE2.98-7-15-6 C.9-N.8-CE1.16-CE2.7 | -114.115 | Flexible |
| 20 | C.7-N.16-CE1.8-C1'.109-7-15-6 C.10-N.8-CE1.16-C1'.7 | 123.968 | Flexible |
| 21 | CE1.8-C1'.10-C2'.11-C3'.1211-10-9-7 CE1.12-C1'.11-C2'.10-C3'.8 | 178.457 | Rigid |
| 22 | CE1.8-C1'.10-C6'.15-C5'.1413-14-9-7 CE1.14-C1'.15-C6'.10-C5'.8 | -177.756 | Rigid |
| 23 | CE1.8-N.16-C.7-O.1716-6-15-7 CE1.17-N.7-C.16-O.8 | 5.432 | Rigid |
| 24 | CE2.9-CE1.8-C1'.10-C2'.1110-9-7-8 CE2.11-CE1.10-C1'.8-C2'.9 | 101.148 | Flexible |
| 25 | CE2.9-CE1.8-C1'.10-C6'.1514-9-7-8 CE2.15-CE1.10-C1'.8-C6'.9 | -79.245 | Flexible |
| 26 | C1'.10-C2'.11-C3'.12-C4'.1312-11-10-9 C1'.13-C2'.12-C3'.11-C4'.10 | 0.499 | Rigid Ring |
| 27 | C1'.10-C6'.15-C5'.14-C4'.1312-13-14-9 C1'.13-C6'.14-C5'.15-C4'.10 | -1.916 | Rigid Ring |
| 28 | C2'.11-C1'.10-CE1.8-N.1615-7-9-10 C2'.16-C1'.8-CE1.10-N.11 | -136.727 | Flexible |
| 29 | C2'.11-C1'.10-C6'.15-C5'.1413-14-9-10 C2'.14-C1'.15-C6'.10-C5'.11 | 1.858 | Rigid Ring |
| 30 | C2'.11-C3'.12-C4'.13-C5'.1413-12-11-10 C2'.14-C3'.13-C4'.12-C5'.11 | -0.537 | Rigid Ring |
| 31 | C2'.11-C3'.12-C4'.13-BR4.2019-12-11-10 C2'.20-C3'.13-C4'.12-BR4.11 | 179.265 | Rigid |
| 32 | C3'.12-C2'.11-C1'.10-C6'.1514-9-10-11 C3'.15-C2'.10-C1'.11-C6'.12 | -1.154 | Rigid Ring |
| 33 | C3'.12-C4'.13-C5'.14-C6'.1514-13-12-11 C3'.15-C4'.14-C5'.13-C6'.12 | 1.245 | Rigid Ring |
| 34 | C6'.15-C1'.10-CE1.8-N.1615-7-9-14 C6'.16-C1'.8-CE1.10-N.15 | 42.88 | Flexible |
| 35 | C6'.15-C5'.14-C4'.13-BR4.2019-12-13-14 C6'.20-C5'.13-C4'.14-BR4.15 | -178.555 | Rigid |
Dihedrals Histogram