Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)

organic compounds

Acta Cryst. (2012). E68, o3447-o3448    [ doi:10.1107/S1600536812047903 ]


M. J. Matos, L. Santana and E. Uriarte

Abstract: In the title compound, C16H17NO3, the coumarin moiety is essentially planar [maximum deviation from the mean plane formed by the C and O atoms of the coumarin = 0.0183 (12) Å] and that the cyclo­hexane ring adopts the usual chair conformation. The dihedral angle between the mean plane of the coumarin residue and the plane of the amide residue (defined as the N, C and O atoms) is 18.9 (2)°. There are two intra­molecular hydrogen bonds involving the amide group. In one, the N atom acts as donor to the ketonic O atom and in the other, the amide O atom acts as acceptor of a C-H group of the coumarin. In the crystal, mol­ecules are linked into inversion dimers by pairs of N-H...O contacts and these dimers are linked into pairs by weak C-H...O hydrogen bonds. The combination of these inter­actions creates a chain of rings which runs parallel to [2-10]. C-H...[pi] and [pi]-[pi] [centroid-centroid distance = 3.8654 (10) Å] inter­actions are also observed.

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