环己烷螺-2'-[2',3',6',7'-四氢-1'H-环戊并[d]嘧啶]-4'(5'H)-酮
Cyclo-hexa-nespiro-2'-[2',3',6',7'-tetra-hydro-1'H-cyclo-penta-[d]pyrimidin]-4'(5'H)-one.
作者信息
Shi Daxin, Qian Dongfeng, Zhang Qi, Li Jiarong
机构信息
School of Chemical Engineering and Environment, Beijing Institue of Technology, Beijing 100081, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 28;65(Pt 3):o615. doi: 10.1107/S1600536809005388.
The title compound, C(12)H(18)N(2)O, was synthesized by the reaction of cyclo-hexa-none and 2-amino-cyclo-pent-1-enecarbonitrile. In the mol-ecule of the title compound, the six-carbon ring displays a chair conformation, the six-membered 1,3-diaza ring and the cyclo-pentene ring both assume envelope conformations. Supra-molecular aggregation is achieved by N-H⋯O hydrogen bonds.
标题化合物C(12)H(18)N(2)O是通过环己酮与2-氨基环戊-1-烯甲腈反应合成的。在标题化合物的分子中，六元碳环呈椅式构象，六元1,3-二氮杂环和环戊烯环均呈信封式构象。通过N-H⋯O氢键实现超分子聚集。
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