The title Schiff base, C(22)H(24)N(2)O(6), adopts an E configuration. The mol-ecule is planar, the mean planes of the phenyl ring system (r.m.s deviation = 0.0059â à ) forms a dihedral angle of 0.96â (4)° with the mean plane of the phenyl ring moiety (r.m.s deviation = 0.0076â à ). In the crystal, mol-ecules are linked by weak inter-molecular C-Hâ¯O and C-Hâ¯N hydrogen bonds into chains extending along the c-axis and b-axis directions, respectively. A mol-ecular docking study between the title mol-ecule and 5-HT2C, which is a G protein receptor and ligand-gated ion channels found in nervous systems (PDB ID: 6BQH) was executed. The experiment shows that it is a good potential agent because of its affinity and ability to stick to the active sites of the receptor.
Crystal structure and mol-ecular docking study of diethyl 2,2'-({[(1E,1'E)-(hydrazine-1,2-diyl-idene)bis-(methanylyl-idene)]bis-(4,1-phenyl-ene)}bis-(-oxy))di-acetate.
阅读:4
作者:Daoui Said, Kansiz Sevgi, Aktas Feyzi Alkim, Dege Necmi, Saif Eiad, Benchat Noureddine, Karrouchi Khalid
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2022 | 起止号: | 2022 Jan 1; 78(Pt 1):88-91 |
| doi: | 10.1107/S205698902101344X | ||
特别声明
1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。
2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。
3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。
4、投稿及合作请联系:info@biocloudy.com。
