2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile


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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.68, pp.2315-2323, 2012 (Journal Indexed in ESCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 68
  • Publication Date: 2012
  • Doi Number: 10.1107/s1600536812029480
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Page Numbers: pp.2315-2323

Abstract

The 4H-pyran ring of the title compound, C17H16N2O2, is nearly planar [maximum deviation = 0.077 (2) angstrom] and the cyclohexene ring adopts a flattened chair conformation [puckering parameters: Q(T) = 0.435 (2) angstrom, theta = 122.0 (3)degrees and phi = 53.5 (3)degrees]. The 4H-pyran ring is almost perpendicular to the benzene ring [dihedral angle = 87.23 (8)degrees] and is almost coplanar with the mean plane of the cyclohexene ring [dihedral angle = 8.01 (8)degrees]. In the crystal, inversion-related molecules are linked by pairs of intermolecular N-H center dot center dot center dot N hydrogen bonds, forming inversion dimers with R-2(2)(12) ring motifs. 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 (0 (1) over bar2). Molecules within the layers interact with each other via C-H center dot center dot center dot pi interactions.