Tang Jianhong, Shi Daxin, Yan Liupan, Liu Xuan, Li Jiarong
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1672. doi: 10.1107/S160053681102188X. Epub 2011 Jun 18.
The title compound, C(21)H(21)N(3)O, was obtained by cyclo-condensation of 3-amino-5-methyl-[1,1'-biphen-yl]-2,4-di-car-bo-nitrile with cyclo-hexa-none. The six-membered 1,3-diaza ring assumes an envelope conformation [with the flap atom displaced by 0.511 (7) Å from the plane through the other ring atoms] and the cyclo-hexane ring displays a chair conformation. The dihedral angle between the aromatic rings is 42.61 (7)°.In the crystal, the mol-ecules form hydrogen-bonded bands along [011].
标题化合物C(21)H(21)N(3)O是由3-氨基-5-甲基-[1,1'-联苯]-2,4-二腈与环己酮环缩合得到的。六元1,3-二氮杂环呈信封构象[瓣状原子与通过其他环原子的平面相距0.511(7)Å],环己烷环呈椅式构象。芳环之间的二面角为42.61(7)°。在晶体中,分子沿[011]形成氢键带。