2-Amino-4-(4-chloro-phen-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile propan-2-one monosolvate

In the title compound, C(18)H(17)ClN(2)O(2)·C(3)H(6)O, the 4H-pyran ring is nearly planar [maximum deviation = -0.108 (1) Å] and the cyclo-hexene ring is puckered [puckering parameters Q(T) = 0.4596 (17) Å, θ = 55.9 (2)° and ϕ = 226.5 (3)°]. The 4H-pyran ring is approximately perpendicular to the be...

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Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2012-06, Vol.68 (Pt 6), p.o1965-o1966
Main Authors: Mohamed, Shaaban K, Akkurt, Mehmet, Tahir, Muhammad N, Abdelhamid, Antar A, Albayati, Mustafa R
Format: Article
Language:English
Subjects:
Organic Papers
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Summary:In the title compound, C(18)H(17)ClN(2)O(2)·C(3)H(6)O, the 4H-pyran ring is nearly planar [maximum deviation = -0.108 (1) Å] and the cyclo-hexene ring is puckered [puckering parameters Q(T) = 0.4596 (17) Å, θ = 55.9 (2)° and ϕ = 226.5 (3)°]. The 4H-pyran ring is approximately perpendicular to the benzene ring [dihedral angle = 84.35 (7)°] and is almost coplanar with the mean plane of the cyclo-hexene ring [dihedral angle = 8.64 (7)°]. In the crystal, inversion-related main mol-ecules are linked into dimers by pairs of N-H⋯N hydrogen bonds, generating an R(2) (2)(12) graph-set motif. These dimers are further connected by N-H⋯O and C-H⋯N hydrogen bonds, forming a layer structure extending parallel to the (011) plane. In addition, the mol-ecules within the layers inter-act with each other via C-H⋯π inter-actions.
ISSN:1600-5368
DOI:10.1107/S1600536812024142