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. 2012 Jul 1;68(Pt 7):o2206-7.
doi: 10.1107/S160053681202781X. Epub 2012 Jun 27.

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

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

Shaaban K Mohamed et al. Acta Crystallogr Sect E Struct Rep Online. .

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)°].

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 30% probability level.
Fig. 2.
Fig. 2.
View of the dimers formed by pairs of N—H···N hydrogen bonds, with an R22(12) motif and the N—H···O and C—H···N hydrogen bonds connect the dimers with each other. H atoms not involved in hydrogen bonds have been omitted for clarity.

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