Research Article: 2-Amino-4-(4-chloro­phen­yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile propan-2-one monosolvate

Date Published: June 01, 2012

Publisher: International Union of Crystallography

Author(s): Shaaban K. Mohamed, Mehmet Akkurt, Muhammad N. Tahir, Antar A. Abdelhamid, Mustafa R. Albayati.

http://doi.org/10.1107/S1600536812024142

Abstract

In the title compound, C18H17ClN2O2·C3H6O, the 4H-pyran ring is nearly planar [maximum deviation = −0.108 (1) Å] and the cyclo­hexene ring is puckered [puckering parameters QT = 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 cyclo­hexene ring [dihedral angle = 8.64 (7)°]. In the crystal, inversion-related main mol­ecules are linked into dimers by pairs of N—H⋯N hydrogen bonds, generating an R22(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 mol­ecules within the layers inter­act with each other via C—H⋯π inter­actions.

Partial Text

For the synthesis of chromene compounds, see: Coujon et al. (2002 ▶). For the bioactivity of chromene compounds see: Kaye & Nocanda (2002 ▶). For similar structures, see: Hu et al. (2012 ▶); Mohamed et al. (2012 ▶). For bond-length data, see: Allen et al. (1987 ▶). For puckering parameters, see: Cremer & Pople (1975 ▶). For hydrogen-bond motifs, see: Bernstein et al. (1995 ▶).

 

Source:

http://doi.org/10.1107/S1600536812024142

 

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