Tianjin Center for New Drug Safety Assessment and Research

Tianjin, China

Tianjin Center for New Drug Safety Assessment and Research

Tianjin, China
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Liu H.-Q.,Tianjin Center for New Drug Safety Assessment and Research | Liu H.-Q.,Tianjin University of Traditional Chinese Medicine | Zhang W.-G.,Tianjin Center for New Drug Safety Assessment and Research | Zhang W.-G.,Tianjin University of Traditional Chinese Medicine | And 3 more authors.
Acta Crystallographica Section E: Structure Reports Online | Year: 2012

In the title compound, C34H41N7O5·4H2O (systematic name: ethyl 3-{[2-({4-[(Z)-amino(hexyloxycarbonylimino)methyl]anilino}methyl)-1- methylbenzimidazole-5-carbonyl]pyridin-2-ylamino}propanoate tetrahydrate), the benzene and pyridine rings form dihedral angles of 5.4 (1) and 43.8 (1)°, respectively, with the benzimidazole mean plane. The terminal butyl group is disordered over two conformations in a 0.756 (10):0.244 (10) ratio. There is an intramolecular N-H⋯O hydrogen bond present. In the crystal, the water molecules are involved in the formation of O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, which link the components into layers parallel to the ab plane.

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