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

Acta Crystallographica Section E: Crystallographic Communications

Tatiana Kornilova¹  Raúl Castañeda¹  Tatiana V. Timofeeva¹  Viktor Glebov¹ 

[1] New Mexico Highlands University, 1005 Diamond Ave., Las Vegas NM, 87701, USA;

关键词: crystal structure;    stacking interactions;    methanol solvate;    hirshfeld surface analysis;   

DOI  :  10.1107/S2056989022003309

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown