2-Amino-4-(4-chlorophenyl)-7,7dimethyl-5-oxo- 5,6,7,8-tetrahydro-4Hchromene-3-carbonitrilepropan-2-one monosolvate

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Mohamed S. K., AKKURT M., Tahir M. N., Abdelhamid A. A., Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.68, 2012 (ESCI)

• Publication Type: Article / Article
• Volume: 68
• Publication Date: 2012
• Doi Number: 10.1107/s1600536812024142
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Erciyes University Affiliated: Yes

Abstract

In the title compound, C18H17ClN2O2 center dot C3H6O, the 4H-pyran ring is nearly planar [maximum deviation = -0.108 (1) A ] and the cyclohexene ring is puckered [puckering parameters Q(T) = 0.4596 (17) angstrom, theta = 55.9 ( 2)degrees and theta = 226.5 (3) degrees]. The 4H-pyran ring is approximately perpendicular to the benzene ring [dihedral angle = 84.35 (7) degrees] and is almost coplanar with the mean plane of the cyclohexene ring [dihedral angle = 8.64 (7) degrees]. In the crystal, inversion-related main molecules are linked into dimers by pairs of N-H center dot center dot center dot N hydrogen bonds, generating an R-2(2) (12) graph-set motif. These dimers are further connected by N-H center dot center dot center dot O and C-H center dot center dot center dot 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 center dot center dot center dot pi interactions.