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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, C(27)H(35)N(2)O(7) (+)·Cl(−)·C(2)H(3)N, 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...

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Detalles Bibliográficos
Autores principales: Li, Ai-zhen, Xu, Wen-jie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257232/
https://www.ncbi.nlm.nih.gov/pubmed/25484709
http://dx.doi.org/10.1107/S160053681402090X
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author Li, Ai-zhen
Xu, Wen-jie
author_facet Li, Ai-zhen
Xu, Wen-jie
author_sort Li, Ai-zhen
collection PubMed
description The title compound (trivial name moexipril hydro­chloride) crystallizes as the aceto­nitrile monosolvate, C(27)H(35)N(2)O(7) (+)·Cl(−)·C(2)H(3)N, 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).
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spelling pubmed-42572322014-12-05 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 Li, Ai-zhen Xu, Wen-jie Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound (trivial name moexipril hydro­chloride) crystallizes as the aceto­nitrile monosolvate, C(27)H(35)N(2)O(7) (+)·Cl(−)·C(2)H(3)N, 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). International Union of Crystallography 2014-09-24 /pmc/articles/PMC4257232/ /pubmed/25484709 http://dx.doi.org/10.1107/S160053681402090X Text en © Li and Xu 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Li, Ai-zhen
Xu, Wen-jie
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257232/
https://www.ncbi.nlm.nih.gov/pubmed/25484709
http://dx.doi.org/10.1107/S160053681402090X
work_keys_str_mv AT liaizhen crystalstructureof2s13s3carboxy67dimethoxy1234tetrahydroisoquinolin2yl1oxopropan2yl2s1ethoxy1oxo4phenylbutan2ylazaniumchlorideacetonitrilemonosolvate
AT xuwenjie crystalstructureof2s13s3carboxy67dimethoxy1234tetrahydroisoquinolin2yl1oxopropan2yl2s1ethoxy1oxo4phenylbutan2ylazaniumchlorideacetonitrilemonosolvate