Carvedilol dihydrogen phosphate hemihydrate: a powder study

In the cation of the title compound [systematic name: 3-(9H-carbazol-4-yl­oxy)-2-hydr­oxy-N-[2-(2-methoxy­phen­oxy)eth­yl]propan-1-aminium dihydrogen phosphate hemihydrate], C(24)H(27)N(2)O(4) (+)·H(2)PO(4) (−)·0.5H(2)O, the mean planes of the tricyclic ring system and the benzene ring form a dihedr...

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Autores principales: Chernyshev, Vladimir V., Machula, Alexandre A., Kukushkin, Sergei Yu., Velikodny, Yurii A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977435/
https://www.ncbi.nlm.nih.gov/pubmed/21583690
http://dx.doi.org/10.1107/S1600536809029353
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author Chernyshev, Vladimir V.
Machula, Alexandre A.
Kukushkin, Sergei Yu.
Velikodny, Yurii A.
author_facet Chernyshev, Vladimir V.
Machula, Alexandre A.
Kukushkin, Sergei Yu.
Velikodny, Yurii A.
author_sort Chernyshev, Vladimir V.
collection PubMed
description In the cation of the title compound [systematic name: 3-(9H-carbazol-4-yl­oxy)-2-hydr­oxy-N-[2-(2-methoxy­phen­oxy)eth­yl]propan-1-aminium dihydrogen phosphate hemihydrate], C(24)H(27)N(2)O(4) (+)·H(2)PO(4) (−)·0.5H(2)O, the mean planes of the tricyclic ring system and the benzene ring form a dihedral angle of 87.2 (2)°. In the crystal structure, the solvent water mol­ecule is situated on a twofold rotation axis linking two cations via O—H⋯O and N—H⋯O hydrogen bonds. The anions contribute to the formation O—H⋯O and N—H⋯O hydrogen bonds between the anions and cations, which consolidate the crystal packing.
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spelling pubmed-29774352010-12-30 Carvedilol dihydrogen phosphate hemihydrate: a powder study Chernyshev, Vladimir V. Machula, Alexandre A. Kukushkin, Sergei Yu. Velikodny, Yurii A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title compound [systematic name: 3-(9H-carbazol-4-yl­oxy)-2-hydr­oxy-N-[2-(2-methoxy­phen­oxy)eth­yl]propan-1-aminium dihydrogen phosphate hemihydrate], C(24)H(27)N(2)O(4) (+)·H(2)PO(4) (−)·0.5H(2)O, the mean planes of the tricyclic ring system and the benzene ring form a dihedral angle of 87.2 (2)°. In the crystal structure, the solvent water mol­ecule is situated on a twofold rotation axis linking two cations via O—H⋯O and N—H⋯O hydrogen bonds. The anions contribute to the formation O—H⋯O and N—H⋯O hydrogen bonds between the anions and cations, which consolidate the crystal packing. International Union of Crystallography 2009-07-29 /pmc/articles/PMC2977435/ /pubmed/21583690 http://dx.doi.org/10.1107/S1600536809029353 Text en © Chernyshev et al. 2009 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 Organic Papers
Chernyshev, Vladimir V.
Machula, Alexandre A.
Kukushkin, Sergei Yu.
Velikodny, Yurii A.
Carvedilol dihydrogen phosphate hemihydrate: a powder study
title Carvedilol dihydrogen phosphate hemihydrate: a powder study
title_full Carvedilol dihydrogen phosphate hemihydrate: a powder study
title_fullStr Carvedilol dihydrogen phosphate hemihydrate: a powder study
title_full_unstemmed Carvedilol dihydrogen phosphate hemihydrate: a powder study
title_short Carvedilol dihydrogen phosphate hemihydrate: a powder study
title_sort carvedilol dihydrogen phosphate hemihydrate: a powder study
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977435/
https://www.ncbi.nlm.nih.gov/pubmed/21583690
http://dx.doi.org/10.1107/S1600536809029353
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AT kukushkinsergeiyu carvediloldihydrogenphosphatehemihydrateapowderstudy
AT velikodnyyuriia carvediloldihydrogenphosphatehemihydrateapowderstudy

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