2-氨基-4-（4-甲氧基苯基）-7,7-二甲基-5-氧代-5,6,7,8-四氢-4H-色烯-3-腈丙-2-酮单溶剂合物
2-Amino-4-(4-meth-oxy-phen-yl)-7,7-di-methyl-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile propan-2-one monosolvate.
作者信息
Mohamed Shaaban K, Akkurt Mehmet, Tahir Muhammad N, Abdelhamid Antar A, Allahverdiyev M A
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2206-7. doi: 10.1107/S160053681202781X. Epub 2012 Jun 27.
Abstract
In the crystal structure of the title compound, C(19)H(20)N(2)O(3)·C(3)H(6)O, mol-ecules are linked into inversion dimers with an R(2) (2)(12) motif by pairs of N-H⋯N hydrogen bonds. These dimers are further connected into chains running along the a axis by N-H⋯O hydrogen bonds. C-H⋯N and C-H⋯π inter-actions also feature in the packing. The cyclohexene ring adopts nearly an envelope conformation [puckering parameters are Q(T) = 0.456 (2) Å, θ = 54.6 (3)° and ϕ = 225.2 (3)°].
摘要
在标题化合物C(19)H(20)N(2)O(3)·C(3)H(6)O的晶体结构中，分子通过N-H⋯N氢键对以R(2) (2)(12)模式连接成反演二聚体。这些二聚体通过N-H⋯O氢键进一步连接成沿a轴延伸的链。堆积中还存在C-H⋯N和C-H⋯π相互作用。环己烯环几乎呈信封构象[褶皱参数为Q(T) = 0.456 (2) Å，θ = 54.6 (3)°和ϕ = 225.2 (3)°]。
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