Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 12 (December 2007)


organic compounds



ga3076 scheme

Acta Cryst. (2007). C63, o746-o750    [ doi:10.1107/S0108270107052705 ]

Four substituted pyrazolines

D. Chopra, T. P. Mohan, B. Vishalakshi and T. N. Guru Row

Abstract: In the title compounds 5-(3-fluoro-4-phenoxyphenyl)-1,3-biphenyl-4,5-dihydro-1H-pyrazole, C27H21FN2O, (I), 3-(4-chlorophenyl)-5-(3-fluoro-4-phenoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole, C27H20ClFN2O, (II), 5-(3-fluoro-4-phenoxyphenyl)-3-(4-methylphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole, C28H23FN2O, (III), and 5-(3-fluoro-4-phenoxyphenyl)-3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole, C28H23FN2O2, (IV), the five-membered pyrazole ring exists in an envelope conformation. The crystal structure of (I) has three independent C-H...[pi] intermolecular interactions. In (II), an intermolecular C-Cl...[pi] contact is present, forming molecular chains. Replacement of this chloro group in (II) by a methyl group yields an isomorphic crystal structure, (III).

Formula: C27H21FN2O, C27H20ClFN2O, C28H23FN2O and C28H23FN2O2


hkldisplay filedownload file

Structure factor file (CIF format) (109.4 kbytes)
[ doi:10.1107/S0108270107052705/ga3076Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (214.5 kbytes)
[ doi:10.1107/S0108270107052705/ga3076IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (212.5 kbytes)
[ doi:10.1107/S0108270107052705/ga3076IIIsup4.hkl ]
Contains datablock III


hkldisplay filedownload file

Structure factor file (CIF format) (213.4 kbytes)
[ doi:10.1107/S0108270107052705/ga3076IVsup5.hkl ]
Contains datablock IV


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

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster