Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 2 (February 2013)

organic compounds

Acta Cryst. (2013). C69, 199-203    [ doi:10.1107/S0108270113001790 ]

Two polymorphs of 1,8-dichloro­anthracene

P. Müller, F. R. Fronczek, S. J. Smith, T. Mako and M. Levine

Abstract: A second, monoclinic, polymorph of the title compound, C14H8Cl2, has been found. In addition to the structure of this monoclinic form, the structure of the previously described ortho­rhom­bic form [Desvergne, Chekpo & Bouas-Laurent (1978). J. Chem. Soc. Perkin Trans. 2, pp. 84-87; Benites, Maverick & Fronczek (1996). Acta Cryst. C52, 647-648] has been redetermined at low temperature and using modern methods. The low-temperature structure of the ortho­rhom­bic form is of significantly higher quality than the previously published structure and additional details can be derived. A comparison of the crystal packing of the two forms with a focus on weak inter­molecular C-H...Cl inter­actions shows the monoclinic structure to have one such inter­action linking the mol­ecules into infinite ribbons, while two crystallographically independent C-H...Cl interactions give rise to an inter­esting infinite three-dimensional network in the ortho­rhom­bic crystal form.

Formula: Two polymorphs of C14H8Cl2

hkldisplay filedownload file

Structure factor file (CIF format) (181.4 kbytes)
[ doi:10.1107/S0108270113001790/gz3224I_monosup2.hkl ]
Contains datablock mono

hkldisplay filedownload file

Structure factor file (CIF format) (240.9 kbytes)
[ doi:10.1107/S0108270113001790/gz3224I_orthosup5.hkl ]
Contains datablock ortho


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