Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 5 (May 2004)

gg1213 scheme

Acta Cryst. (2004). C60, o334-o337 [doi:10.1107/S0108270104006924]

2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and 2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

V. N. Nesterov, D. J. Wiedenfeld, S. V. Nesterova and M. A. Minton

Abstract: Syntheses and X-ray structural investigations have been carried out for the two title compounds, C₂₀H₁₆N₂O₂, (IIIa), and C₂₂H₂₀N₂O₂, (IIIb). In (IIIa), the heterocyclic ring adopts a sofa conformation, while in (IIIb), the ring has a flattened boat conformation. In both molecules, the fused cyclohexenone ring adopts a sofa conformation. The dihedral angles between these two flat fragments are 3.5 (2) and 17.5 (2)° in (IIIa) and (IIIb), respectively. The dihedral angles between the pseudo-axial naphthalene substituents and the planes of the pyran rings are 90.9 (1) and 96.7 (1)°, respectively. In the crystal structure of (IIIa), intermolecular N-HN and N-HO hydrogen bonds link the molecules into infinite tapes along the b axis, while molecules of (IIIb) form centrosymmetric dimers via N-HN hydrogen bonds, with only one H atom of the NH₂ donor group taking part in hydrogen bonding.

Formula: C₂₀H₁₆N₂O₂ and C₂₂H₂₀N₂O₂

Online 21 April 2004


	Structure factor file (CIF format) (162.8 kbytes) Contains datablock IIIa

	Structure factor file (CIF format) (208.5 kbytes) Contains datablock IIIb

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.