Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2012 Mar 1;68(Pt 3):o749.
doi: 10.1107/S1600536812005983. Epub 2012 Feb 17.

rac-3-[(Anilino)(naphthalen-2-yl)-methyl]thian-4-one

rac-3-[(Anilino)(naphthalen-2-yl)-methyl]thian-4-one

Klaus Harms et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(22)H(21)NOS, the thio-pyran-one ring adopts a chair-like conformation with the substituent in the axial position. The relative configuration of the racemic compound is 3R,7S according to the numbering scheme used in this publication. In the crystal packing, centrosymmetric dimers are built up via N-H⋯O hydrogen bonds, with graph set R(2) (2)(8).

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
Molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at 50% probability level. H atoms are presented as small spheres of arbitrary radius. Dotted lines indicate hydrogen bonds to the neighbouring molecule generated by crystallographic inversion symmetry. For symmetry code (i), see Table 1.

References

    1. Abaee, M. S., Motjahedi, M. M., Akbari, A., Mehraki, E., Mesbah, A. W. & Harms, K. (2012). J. Heterocycl. Chem. 49 In the press.
    1. Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.
    1. Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555–1573.
    1. Brandenburg, K. (2007). DIAMOND Crystal Impact GbR, Bonn, Germany.
    1. Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837–838.