Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)

organic compounds

Acta Cryst. (2013). E69, o1286-o1287    [ doi:10.1107/S1600536813019168 ]


U. H. Patel, R. D. Modh and D. A. Shah

Abstract: The title compound, C23H21ClN4, contains two molecules (A and B) in the asymmetric unit, which are related to one another by a pseudo-inversion center. The non-aromatic pyrrolidine ring in each independent mol­ecule adopts a half-chair conformation; the ring puckering parameters are [theta] = 0.407 (3) Å and [varphi] = 270.5 (4)°, and the pseudo-rotation parameters are [rho] = 72.5 (3)° and [tau] = 42.2 (2)° for an N-C bond of molecule A, and the corresponding values are 0.415 (3) Å, 271.6 (4)°, 73.6 (3)° and 42.6 (2)° for molecule B. The dihedral angles between the central fused-ring system and the substituted chlorophenyl and methylphenyl rings are 66.35 and 45.59°, respectively, for molecule A, and 64.51 and 41.89° for molecule B. The geometry of all four intramolecular C-H...[pi] interactions are of type III. [pi]-[pi] interactions involving the centroids of symmetry-related pyrrole rings of molecule B are 4.390 Å, contributing further to the stability of the molecule.

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file (137.7 kbytes)
[ doi:10.1107/S1600536813019168/gg2114sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file (7.6 kbytes)
[ doi:10.1107/S1600536813019168/gg2114Isup3.cml ]
Supplementary material


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