Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 6 (June 2005)

organic compounds

tr1118 scheme

Acta Cryst. (2005). C61, o348-o350 [doi:10.1107/S0108270105009844]

1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1H)-thione

C. Kazak, V. T. Yilmaz, S. Servi, M. Koca and F. W. Heinemann

Abstract: The title compounds, 1,3-dibenzoylimidazolidine-2-thione, C₁₇H₁₄N₂O₂S, (I), and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1H)-thione, C₁₈H₁₆N₂O₂S, (II), were obtained from the reactions of imidazolidine-2-thione and 1,4,5,6-tetrahydropyrimidine-2-thiol, respectively, with benzoyl chloride. Compounds (I) and (II) contain, respectively, imidazolidinethione [C=S = 1.6509 (14) Å] and pyrimidinethione [C=S = 1.6918 (19) Å] moieties bonded to two benzoyl rings. The molecules of (I) exhibit C₂ symmetry, the C=S bond lying along the twofold rotation axis, while the molecules of (II) have mirror symmetry (C_s). The imidazolidine ring in (I) is essentially planar, while the pyrimidine ring in (II) adopts a boat conformation. Molecules of (I) are linked by weak intermolecular C-HO interactions, while molecules of (II) are held together by van der Waals interactions.

Formula: C₁₇H₁₄N₂O₂S and C₁₈H₁₆N₂O₂S


	Structure factor file (CIF format) (89.9 kbytes) Contains datablock I

	Structure factor file (CIF format) (101.0 kbytes) Contains datablock II

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.

other supplementary material

If the supplementary material that you require is not shown in the list above, it may only be available in our hard-copy archive. However, our policy is to progressively digitize old hard-copy supplementary documents where possible.

Please help us to work towards this goal by completing the form below. This will register your wish to receive a supplementary document, which we shall scan to create a PDF and then make available via the web to you and to other requestors in the future.

Name
E-mail
Address