In the title compound, C34H41N7O5·4H2O (systematic name: ethyl 3-{[2-({4-[(Z)-amino-(hexyl-oxycarbonyl-imino)-meth-yl]anilino}meth-yl)-1-meth-yl-benzimidazole-5-carbon-yl]pyridin-2-yl-amino}-propano-ate tetra-hydrate), the benzene and pyridine rings form dihedral angles of 5.4â (1) and 43.8â (1)°, respectively, with the benzimidazole mean plane. The terminal butyl group is disordered over two conformations in a 0.756â (10):0.244â (10) ratio. There is an intramolecular N-Hâ¯O hydrogen bond present. In the crystal, the water mol-ecules are involved in the formation of O-Hâ¯O, O-Hâ¯N and N-Hâ¯O hydrogen bonds, which link the components into layers parallel to the ab plane.
Dabigatran etexilate tetra-hydrate.
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作者:Liu Hong-Qiang, Zhang Wei-Guang, Cai Zhi-Qiang, Xu Wei-Ren, Shen Xiu-Ping
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2012 | 起止号: | 2012 Dec 1; 68(Pt 12):o3385 |
| doi: | 10.1107/S1600536812046673 | ||
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