A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis
A new pseudopolymorph of berberine, 9,10-dimeth-oxy-5,6-di-hydro-2 -7λ -[1,3]dioxolo[4,5- ]iso-quinolino-[3,2- ]isoquinolin-7-ylium chloride methanol monosolvate, C H NO ·Cl ·CH OH, was obtained during co-crystallization of berberine chloride with malonic acid from methanol. The berberine cations fo...
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Published in | Acta crystallographica. Section E, Crystallographic communications Vol. 78; no. Pt 5; pp. 468 - 472 |
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Main Authors | , , , |
Format | Journal Article |
Language | English |
Published |
England
International Union of Crystallography
01.05.2022
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Subjects | |
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Abstract | A new pseudopolymorph of berberine, 9,10-dimeth-oxy-5,6-di-hydro-2
-7λ
-[1,3]dioxolo[4,5-
]iso-quinolino-[3,2-
]isoquinolin-7-ylium chloride methanol monosolvate, C
H
NO
·Cl
·CH
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, tetra-hydrate, and ethanol solvate hemihydrate. Hirshfeld analysis was performed to show the inter-molecular inter-actions 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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AbstractList | A new pseudopolymorph of berberine, 9,10-dimethoxy-5,6-dihydro-2
H
-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. A new pseudopolymorph of berberine, 9,10-dimeth-oxy-5,6-di-hydro-2 -7λ -[1,3]dioxolo[4,5- ]iso-quinolino-[3,2- ]isoquinolin-7-ylium chloride methanol monosolvate, C H NO ·Cl ·CH 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, tetra-hydrate, and ethanol solvate hemihydrate. Hirshfeld analysis was performed to show the inter-molecular inter-actions in the crystal structure of the title compound, and its fingerprint plots were compared with those of the already studied solvates. A new pseudopolymorph of berberine, 9,10-dimethoxy-5,6-dihydro-2H-7λ5-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ylium chloride methanol monosolvate, C20H18NO4+·Cl−·CH3OH, 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. The crystal structure of methanol solvate of berberine chloride, 9,10-dimethoxy-5,6-dihydro-2 H -7λ 5 -[1,3]dioxolo[4,5- g ]isoquinolino[3,2- a ]isoquinolin-7-ylium chloride methanol monosolvate, was determined and its Hirshfeld surface analysis was performed. A new pseudopolymorph of berberine, 9,10-dimethoxy-5,6-dihydro-2 H -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. A new pseudopolymorph of berberine, 9,10-dimeth-oxy-5,6-di-hydro-2H-7λ5-[1,3]dioxolo[4,5-g]iso-quinolino-[3,2-a]isoquinolin-7-ylium chloride methanol monosolvate, C20H18NO4 +·Cl-·CH3OH, 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, tetra-hydrate, and ethanol solvate hemihydrate. Hirshfeld analysis was performed to show the inter-molecular inter-actions in the crystal structure of the title compound, and its fingerprint plots were compared with those of the already studied solvates.A new pseudopolymorph of berberine, 9,10-dimeth-oxy-5,6-di-hydro-2H-7λ5-[1,3]dioxolo[4,5-g]iso-quinolino-[3,2-a]isoquinolin-7-ylium chloride methanol monosolvate, C20H18NO4 +·Cl-·CH3OH, 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, tetra-hydrate, and ethanol solvate hemihydrate. Hirshfeld analysis was performed to show the inter-molecular inter-actions in the crystal structure of the title compound, and its fingerprint plots were compared with those of the already studied solvates. |
Author | Timofeeva, Tatiana V Glebov, Viktor Kornilova, Tatiana Castañeda, Raúl |
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Keywords | crystal structure stacking interactions Hirshfeld surface analysis methanol solvate |
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Snippet | A new pseudopolymorph of berberine, 9,10-dimeth-oxy-5,6-di-hydro-2
-7λ
-[1,3]dioxolo[4,5-
]iso-quinolino-[3,2-
]isoquinolin-7-ylium chloride methanol... A new pseudopolymorph of berberine, 9,10-dimethoxy-5,6-dihydro-2 H -7λ 5 -[1,3]dioxolo[4,5- g ]isoquinolino[3,2- a ]isoquinolin-7-ylium chloride methanol... A new pseudopolymorph of berberine, 9,10-dimeth-oxy-5,6-di-hydro-2H-7λ5-[1,3]dioxolo[4,5-g]iso-quinolino-[3,2-a]isoquinolin-7-ylium chloride methanol... The crystal structure of methanol solvate of berberine chloride, 9,10-dimethoxy-5,6-dihydro-2 H -7λ 5 -[1,3]dioxolo[4,5- g ]isoquinolino[3,2- a... A new pseudopolymorph of berberine, 9,10-dimethoxy-5,6-dihydro-2H-7λ5-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ylium chloride methanol monosolvate,... |
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SubjectTerms | crystal structure hirshfeld surface analysis methanol solvate Research Communications stacking interactions |
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Title | A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis |
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