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Crystal structure of anagyrine perchlorate

机译:高氯那古那林的晶体结构

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摘要

The title mol­ecular salt, C15H21N2O+·ClO4−, crystallizes with four cations (A, B, C and D) and four anions in the chiral unit cell (space group P21). The alkaloid was isolated from the aerial parts of Genista Hispanica collected in the Samarkand region of Uzbekistan. Each cation is protonated at the N atom that bridges the alkaloid rings C and D. In each cation, ring A is almost planar and ring B adops a sofa conformation with the methyl­ene group bridging to the C ring as the flap. Rings C and D adopt chair conformations with a cis ring junction in all four cations. In the crystal, A+B and C+D dimeric pairs linked by pairs of N—H⋯O hydrogen bonds are observed, which generate R22(16) loops in each case. The dimers are consolidated by weak aromatic π–π stacking inter­actions between the A rings [centroid–centroid distances = 3.913 (3) and 3.915 (3) Å].
机译:标题分子盐C15H21N2O +·ClO4-与手性晶胞(空间群P21)中的四个阳离子(A,B,C和D)和四个阴离子结晶。从乌兹别克斯坦撒马尔罕地区收集的Genista Hispanica的地上部分中分离出生物碱。每个阳离子在桥接生物碱环C和D的N原子上质子化。在每个阳离子中,环A几乎是平面,环B呈沙发构象,亚甲基桥连到C环上作为瓣。环C和D均采用椅子构象,在所有四个阳离子中均具有顺式环结。在晶体中,观察到通过N-H = O氢键对连接的A + B和C + D二聚体对,分别产生R22(16)环。 A环之间的弱芳香π-π堆积相互作用固结了二聚体[质心-质心距离= 3.913(3)和3.915(3)Å]。

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