Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 6 (June 2005)

organic compounds


HTML versionpdf versioncif file3d viewstructure factorssimilar papers buy article online

gz1000 scheme

Acta Cryst. (2005). C61, o363-o365    [doi:10.1107/S0108270105008449]

4,4'-Butane-1,4-diylbis[3-ethyl-1H-1,2,4-triazol-5(4H)-one] and 4-hydroxy-3-n-propyl-1H-1,2,4-triazol-5(4H)-one

N. Ocak Ískeleli, S. Isik, K. Sancak, S. Sasmaz, Y. Ünver and M. Er

Abstract: The title compounds, C12H20N6O2, (I), and C5H9N3O2, (II), display the characteristic features of 1,2,4-triazole derivatives. Compound (I) lies about an inversion centre which is at the mid-point of the central C-C bond. Compound (II) also contains a planar 1,2,4-triazole ring but differs from (I) in that it has a hydroxy group attached to the ring. Molecules of (I) are held together in the crystal structure by intermolecular N-H...O contacts and by weak [bold pi]-[bold pi] stacking interactions between the 1,2,4-triazole moieties. Compound (II) contains intermolecular O-H...O and N-H...O hydrogen bonds.

Formula: C12H20N6O2 and C5H9N3O2

hkldisplay filedownload file

Structure factor file (CIF format) (66.7 kbytes)
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (65.2 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.

 bibliographic record in  format

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.

SUP

Please identify the article from which this was referenced, if known:


Journal Volume First Page 

Important: Please check carefully that the paper information (journal, volume and first page number) above corresponds to the SUP number you supplied.

Please supply some information about yourself:

Name
E-mail

Address

E-mail me when the PDF document is available so that I can download it.
Send the hard-copy print to me by normal mail

  
  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster