5'-甲基硫烷基-4'-氧代-7'-苯基-3',4'-二氢-1'H-螺[环己烷-1,2'-喹唑啉]-8'-甲腈二甲基甲酰胺单溶剂合物
5'-Methyl-sulfanyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'H-spiro-[cyclo-hexane-1,2'-quinazoline]-8'-carbonitrile dimethyl-formamide monosolvate.
作者信息
Liu Xuan, Shi Daxin, Tang Jianhong, Yang Deli, Li Jiarong
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2016. doi: 10.1107/S1600536811026948. Epub 2011 Jul 13.
Abstract
In the title compound, C(21)H(21)N(3)OS·C(3)H(7)NO, the carbonitrile mol-ecule is built up of two fused six-membered rings and one six-membered ring linked through a spiro C atom. The 1,3-diaza ring adopts an envelope conformation and the cyclo-hexane ring adopts a chair conformation. The dihedral angle between the aromatic rings is 46.7 (3)°. In the crystal, the components are linked by N-H⋯O hydrogen bonds.
摘要
在标题化合物C(21)H(21)N(3)OS·C(3)H(7)NO中，腈分子由两个稠合的六元环和一个通过螺C原子相连的六元环组成。1,3-二氮杂环呈信封构象，环己烷环呈椅式构象。芳香环之间的二面角为46.7 (3)°。在晶体中，各组分通过N-H⋯O氢键相连。
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