Pingali Subramanya, Donahue James P, Payton-Stewart Florastina
Department of Chemistry, Xavier University of New Orleans, 1 Drexel Drive, Box 114, New Orleans, Louisiana 70125, USA.
Department of Chemistry, Tulane University, 6400 Freret Street, New Orleans, Louisiana 70118-5698, USA.
Acta Crystallogr C Struct Chem. 2015 Apr;71(Pt 4):262-5. doi: 10.1107/S2053229615004076. Epub 2015 Mar 10.
Tetrahydroberberine (systematic name: 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-benzo[g][1,3]benzodioxolo[5,6-a]quinolizine), C20H21NO4, a widely distributed naturally occurring alkaloid, has been crystallized as a racemic mixture about an inversion center. A bent conformation of the molecule is observed, with an angle of 24.72 (5)° between the arene rings at the two ends of the reduced quinolizinium core. The intermolecular hydrogen bonds that play an apparent role in crystal packing are 1,3-benzodioxole -CH2···OCH3 and -OCH3···OCH3 interactions between neighboring molecules.
四氢小檗碱（系统命名：9,10-二甲氧基-5,8,13,13a-四氢-6H-苯并[g][1,3]苯并二氧杂环戊烯并[5,6-a]喹嗪），化学式为C20H21NO4，是一种广泛分布的天然生物碱，已以围绕一个反演中心的外消旋混合物形式结晶。观察到分子呈弯曲构象，在还原喹嗪鎓核心两端的芳环之间的夹角为24.72 (5)°。在晶体堆积中起明显作用的分子间氢键是相邻分子之间的1,3-苯并二氧杂环戊烯-CH2···OCH3和-OCH3···OCH3相互作用。
