Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 10 (October 2006)


organic compounds



gg3034 scheme

Acta Cryst. (2006). C62, o590-o592    [ doi:10.1107/S0108270106032732 ]

2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine

D. Pugh

Abstract: The title compounds 2,6-dibromo-3,5-dimethylpyridine, C7H7Br2N, (I), and 2,6-diiodo-3,5-dimethylpyridine, C7H7I2N, (II), constitute the first structurally characterized examples of 2,6-dihalo-3,5-dimethylpyridines. Compound (I) crystallizes as a racemic twin with two symmetry-independent molecules in the asymmetric unit, while (II) is non-planar with the pyridine ring slightly deformed into a saddle shape, and exhibits crystallographically imposed twofold symmetry. Both (I) and (II) exhibit aromatic face-to-face [pi]-stacking in the solid state, although there are no other long-range interactions. In (I), alternate molecules are oriented at 90°, resulting in X-shaped columns, while in (II), molecules pack in a parallel fashion, leading to a zigzag array.

Formula: C7H7Br2N and C7H7I2N


hkldisplay filedownload file

Structure factor file (CIF format) (104.8 kbytes)
[ doi:10.1107/S0108270106032732/gg3034Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (51.0 kbytes)
[ doi:10.1107/S0108270106032732/gg3034IIsup3.hkl ]
Contains datablock II


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