N-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic acid (GAS) Summary
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- N-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic acid (GAS) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C.1-C.2-C.3-C.43-2-1-0 C.4-C.3-C.2-C.1 | 0.744 | Rigid Ring |
| 2 | C.1-C.6-C.5-C.43-4-5-0 C.4-C.5-C.6-C.1 | 3.572 | Rigid Ring |
| 3 | C.1-C.6-C.7-N.87-6-5-0 C.8-C.7-C.6-N.1 | -124.373 | Flexible |
| 4 | C.1-C.6-C.7-C.98-6-5-0 C.9-C.7-C.6-C.1 | -1.971 | Flexible |
| 5 | C.2-C.1-C.6-C.54-5-0-1 C.5-C.6-C.1-C.2 | -3.558 | Rigid Ring |
| 6 | C.2-C.1-C.6-C.76-5-0-1 C.7-C.6-C.1-C.2 | 175.986 | Rigid |
| 7 | C.2-C.3-C.4-C.54-3-2-1 C.5-C.4-C.3-C.2 | -0.731 | Rigid Ring |
| 8 | C.3-C.4-C.5-C.65-4-3-2 C.6-C.5-C.4-C.3 | -1.426 | Rigid Ring |
| 9 | C.4-C.5-C.6-C.76-5-4-3 C.7-C.6-C.5-C.4 | -176.001 | Rigid |
| 10 | C.5-C.6-C.7-N.87-6-5-4 C.8-C.7-C.6-N.5 | 55.187 | Flexible |
| 11 | C.5-C.6-C.7-C.98-6-5-4 C.9-C.7-C.6-C.5 | 177.588 | Flexible |
| 12 | C.6-C.1-C.2-C.32-1-0-5 C.3-C.2-C.1-C.6 | 1.39 | Rigid Ring |
| 13 | C.6-C.7-N.8-C.1514-7-6-5 C.15-C.8-N.7-C.6 | -150.951 | Flexible |
| 14 | C.6-C.7-C.9-C.109-8-6-5 C.10-C.9-C.7-C.6 | -67.781 | Flexible |
| 15 | C.6-C.7-C.9-C.1413-8-6-5 C.14-C.9-C.7-C.6 | 113.984 | Flexible |
| 16 | C.7-N.8-C.15-N.1615-14-7-6 C.16-N.15-C.8-N.7 | -19.944 | Flexible |
| 17 | C.7-N.8-C.15-N.2120-14-7-6 C.21-N.15-C.8-N.7 | 165.226 | Flexible |
| 18 | C.7-C.9-C.10-C.1110-9-8-6 C.11-C.10-C.9-C.7 | -172.25 | Rigid |
| 19 | C.7-C.9-C.14-C.1312-13-8-6 C.13-C.14-C.9-C.7 | 171.097 | Rigid |
| 20 | N.8-C.7-C.9-C.109-8-6-7 N.10-C.9-C.7-C.8 | 53.783 | Flexible |
| 21 | N.8-C.7-C.9-C.1413-8-6-7 N.14-C.9-C.7-C.8 | -124.451 | Flexible |
| 22 | N.8-C.15-N.16-C.1716-15-14-7 N.17-C.16-N.15-C.8 | 136.031 | Flexible |
| 23 | N.8-C.15-N.21-C.2221-20-14-7 N.22-C.21-N.15-C.8 | -19.738 | Flexible |
| 24 | C.9-C.7-N.8-C.1514-7-6-8 C.15-C.8-N.7-C.9 | 83.694 | Flexible |
| 25 | C.9-C.10-C.11-C.1211-10-9-8 C.12-C.11-C.10-C.9 | -0.999 | Rigid Ring |
| 26 | C.9-C.14-C.13-C.1211-12-13-8 C.12-C.13-C.14-C.9 | 3.398 | Rigid Ring |
| 27 | C.10-C.9-C.14-C.1312-13-8-9 C.13-C.14-C.9-C.10 | -7.133 | Rigid Ring |
| 28 | C.10-C.11-C.12-C.1312-11-10-9 C.13-C.12-C.11-C.10 | -2.581 | Rigid Ring |
| 29 | C.11-C.10-C.9-C.1413-8-9-10 C.14-C.9-C.10-C.11 | 5.894 | Rigid Ring |
| 30 | C.11-C.12-C.13-C.1413-12-11-10 C.14-C.13-C.12-C.11 | 1.351 | Rigid Ring |
| 31 | C.15-N.16-C.17-C.1817-16-15-14 C.18-N.17-C.16-C.15 | -151.671 | Flexible |
| 32 | C.15-N.21-C.22-C.2322-21-20-14 C.23-N.22-C.21-C.15 | -51.956 | Flexible |
| 33 | C.15-N.21-C.22-C.2928-21-20-14 C.29-N.22-C.21-C.15 | 143.063 | Flexible |
| 34 | N.16-C.15-N.21-C.2221-20-14-15 N.22-C.21-N.15-C.16 | 165.334 | Flexible |
| 35 | N.16-C.17-C.18-O.1918-17-16-15 N.19-C.18-C.17-O.16 | -169.044 | Flexible |
| 36 | N.16-C.17-C.18-O.2019-17-16-15 N.20-C.18-C.17-O.16 | 8.624 | Flexible |
| 37 | C.17-N.16-C.15-N.2120-14-15-16 C.21-N.15-C.16-N.17 | -49.046 | Flexible |
| 38 | N.21-C.22-C.23-C.2423-22-21-20 N.24-C.23-C.22-C.21 | -169.239 | Rigid |
| 39 | N.21-C.22-C.29-C.2827-28-21-20 N.28-C.29-C.22-C.21 | 170.222 | Rigid |
| 40 | C.22-C.23-C.24-C.2524-23-22-21 C.25-C.24-C.23-C.22 | 1.115 | Rigid Ring |
| 41 | C.22-C.29-C.28-C.2524-27-28-21 C.25-C.28-C.29-C.22 | -2.697 | Rigid Ring |
| 42 | C.23-C.22-C.29-C.2827-28-21-22 C.28-C.29-C.22-C.23 | 5.003 | Rigid Ring |
| 43 | C.23-C.24-C.25-C.2625-24-23-22 C.26-C.25-C.24-C.23 | -178.47 | Rigid |
| 44 | C.23-C.24-C.25-C.2827-24-23-22 C.28-C.25-C.24-C.23 | 1.242 | Rigid Ring |
| 45 | C.24-C.23-C.22-C.2928-21-22-23 C.29-C.22-C.23-C.24 | -4.206 | Rigid Ring |
| 46 | C.24-C.25-C.26-N.2726-25-24-23 C.27-C.26-C.25-N.24 | 149.53 | Flexible |
| 47 | C.24-C.25-C.28-C.2928-27-24-23 C.29-C.28-C.25-C.24 | -0.451 | Rigid Ring |
| 48 | C.26-C.25-C.28-C.2928-27-24-25 C.29-C.28-C.25-C.26 | 179.263 | Rigid |
| 49 | N.27-C.26-C.25-C.2827-24-25-26 N.28-C.25-C.26-C.27 | -30.174 | Flexible |
Dihedrals Histogram