Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)

organic compounds

wn2486 scheme

Acta Cryst. (2012). E68, o2625 [ doi:10.1107/S1600536812033727 ]

1-[4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone

N. Anuradha, A. Thiruvalluvar, S. Chitra, D. Devanathan and R. J. Butcher

Abstract: In the title molecule, C₁₃H₁₃FN₂OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.45 (14)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the fluorophenyl group, which has an axial orientation. N-HO, N-HS, C-HF and C-HO intermolecular hydrogen bonds and a weak C-H [pi] interaction involving the benzene ring are found in the crystal structure.


	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536812033727/wn2486sup0.html ] Supplementary materials

	Chemdraw file (2.6 kbytes) [ doi:10.1107/S1600536812033727/wn2486Isup3.cdx ] Supplementary material

	Chemical Markup Language (CML) file (5.0 kbytes) [ doi:10.1107/S1600536812033727/wn2486Isup4.cml ] Supplementary material

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.

Search: From to Advanced search