Assaad Thaer, Rukiah Mwaffak
Department of Chemistry, Atomic Energy Commission of Syria (AECS), PO Box 6091, Damascus, Syrian Arab Republic.
Acta Crystallogr C. 2011 Oct;67(Pt 10):o378-81. doi: 10.1107/S0108270111036869. Epub 2011 Sep 15.
The title compound, C(20)H(25)N(3)O, an important precursor for the preparation of benzovesamicol analogues for the diagnosis of Alzheimer's disease, has been synthesized and characterized by FT-IR, and (1)H and (13)C NMR spectroscopic analyses. The crystal structure was analysed using powder diffraction as no suitable single crystal was obtained. The piperazine ring has a chair conformation, while the cyclohexene ring assumes a half-chair conformation. The crystal packing is mediated by weak contacts, principally by complementary intermolecular N-H···O hydrogen bonds that connect successive molecules into a chain. Further stabilization is provided by weak C-H···N contacts and by a weak intermolecular C-H···π interaction.
标题化合物C(20)H(25)N(3)O是制备用于诊断阿尔茨海默病的苯并维司米醇类似物的重要前体，已通过傅里叶变换红外光谱、(1)H和(13)C核磁共振光谱分析进行了合成和表征。由于未获得合适的单晶，因此使用粉末衍射对晶体结构进行了分析。哌嗪环呈椅式构象，而环己烯环呈半椅式构象。晶体堆积是由弱相互作用介导的，主要是通过互补的分子间N-H···O氢键将连续的分子连接成链。弱C-H···N相互作用和弱分子间C-H···π相互作用提供了进一步的稳定性。
