A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis

A new pseudopolymorph of berberine, 9,10-dimeth­oxy-5,6-di­hydro-2H-7λ(5)-[1,3]dioxolo[4,5-g]iso­quinolino­[3,2-a]isoquinolin-7-ylium chloride methanol monosolvate, C(20)H(18)NO(4) (+)·Cl(−)·CH(3)OH, was obtained during co-crystallization of berberine chloride with malonic acid from methanol. The be...

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Autores principales: Kornilova, Tatiana, Glebov, Viktor, Castañeda, Raúl, Timofeeva, Tatiana V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069517/
https://www.ncbi.nlm.nih.gov/pubmed/35547800
http://dx.doi.org/10.1107/S2056989022003309
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author Kornilova, Tatiana
Glebov, Viktor
Castañeda, Raúl
Timofeeva, Tatiana V.
author_facet Kornilova, Tatiana
Glebov, Viktor
Castañeda, Raúl
Timofeeva, Tatiana V.
author_sort Kornilova, Tatiana
collection PubMed
description A new pseudopolymorph of berberine, 9,10-dimeth­oxy-5,6-di­hydro-2H-7λ(5)-[1,3]dioxolo[4,5-g]iso­quinolino­[3,2-a]isoquinolin-7-ylium chloride methanol monosolvate, C(20)H(18)NO(4) (+)·Cl(−)·CH(3)OH, was obtained during co-crystallization of berberine chloride with malonic acid from methanol. The berberine cations form dimers, which are further packed in stacks. The title structure was compared with other reported solvates of berberine chloride: its dihydrate, tetra­hydrate, and ethanol solvate hemihydrate. Hirshfeld analysis was performed to show the inter­molecular inter­actions in the crystal structure of the title compound, and its fingerprint plots were compared with those of the already studied solvates.
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spelling pubmed-90695172022-05-10 A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis Kornilova, Tatiana Glebov, Viktor Castañeda, Raúl Timofeeva, Tatiana V. Acta Crystallogr E Crystallogr Commun Research Communications A new pseudopolymorph of berberine, 9,10-dimeth­oxy-5,6-di­hydro-2H-7λ(5)-[1,3]dioxolo[4,5-g]iso­quinolino­[3,2-a]isoquinolin-7-ylium chloride methanol monosolvate, C(20)H(18)NO(4) (+)·Cl(−)·CH(3)OH, was obtained during co-crystallization of berberine chloride with malonic acid from methanol. The berberine cations form dimers, which are further packed in stacks. The title structure was compared with other reported solvates of berberine chloride: its dihydrate, tetra­hydrate, and ethanol solvate hemihydrate. Hirshfeld analysis was performed to show the inter­molecular inter­actions in the crystal structure of the title compound, and its fingerprint plots were compared with those of the already studied solvates. International Union of Crystallography 2022-04-05 /pmc/articles/PMC9069517/ /pubmed/35547800 http://dx.doi.org/10.1107/S2056989022003309 Text en © Kornilova et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Kornilova, Tatiana
Glebov, Viktor
Castañeda, Raúl
Timofeeva, Tatiana V.
A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis
title A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis
title_full A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis
title_fullStr A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis
title_full_unstemmed A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis
title_short A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis
title_sort new pseudopolymorph of berberine chloride: crystal structure and hirshfeld surface analysis
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069517/
https://www.ncbi.nlm.nih.gov/pubmed/35547800
http://dx.doi.org/10.1107/S2056989022003309
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