Crystal structure of [(2S)-1-[(3S)-3-carboxy-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]-1-oxopropan-2-yl][(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium chloride acetonitrile monosolvate

The title compound (trivial name moexipril hydrochloride) crystallizes as the acetonitrile monosolvate, C27H35N2O7+·Cl−·C2H3N, with the salt comprising a U-shaped cation and a chloride anion. The conformation of the cation is stabilized by a weak intramolecular N+—H...O hydrogen bond and the tetrahy...

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Bibliographic Details
Published in:Acta Crystallographica Section E
Main Authors: Ai-zhen Li, Wen-jie Xu
Format: Article
Language:English
Published: International Union of Crystallography 2014-10-01
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Online Access:http://scripts.iucr.org/cgi-bin/paper?S160053681402090X
Description
Summary:The title compound (trivial name moexipril hydrochloride) crystallizes as the acetonitrile monosolvate, C27H35N2O7+·Cl−·C2H3N, with the salt comprising a U-shaped cation and a chloride anion. The conformation of the cation is stabilized by a weak intramolecular N+—H...O hydrogen bond and the tetrahydropyridine ring adopts a boat conformation. The dihedral angle between the planes of the benzene rings is 85.6 (1)°. In the crystal, the cations and anions form tight ionic pairs by strong intermolecular O—H...Cl hydrogen bonds. C—H...Cl and C—H...N hydrogen bonds link these ionic pairs and the acetonitrile solvate molecules into puckered layers parallel to (100).
ISSN:1600-5368