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. 2012 Jul 1;68(Pt 7):o2178-9.
doi: 10.1107/S1600536812027729. Epub 2012 Jun 23.

2-Amino-4-(4-meth-oxy-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile 1,4-dioxane hemisolvate

2-Amino-4-(4-meth-oxy-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile 1,4-dioxane hemisolvate

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

Abstract

In the crystal structure of the title compound, C(17)H(16)N(2)O(3)·0.5C(4)H(8)O(2), pairs of N-H⋯N hydrogen bonds link mol-ecules into dimers with R(2) (2)(12) motifs, which are connected by N-H⋯O hydrogen bonds, forming a supra-molecular array in the ab plane. The 1,4-dioxane ring, which lies about an inversion center, adopts a chair conformation.

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Figures

Fig. 1.
Fig. 1.
View 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 (dashed lines), with an R22(12) motif, and the N—H···O hydrogen bonds (dashed lines) which connect the dimers with each other, forming a two-dimensional array. H atoms not involved in hydrogen bonding have been omitted for clarity. [Symmetry code: (a) 2 - x, 2 - y, 2 - z].

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