Acta Crystallographica Section B

Structural Science

Volume 61, Part 5 (October 2005)

research papers

Acta Cryst. (2005). B61, 595-600 [ doi:10.1107/S0108768105017374 ]

In situ high-pressure crystallization and compression of halogen contacts in dichloromethane

M. Podsiadlo, K. Dziubek and A. Katrusiak

Abstract: The structure of dichloromethane, CH₂Cl₂, crystallized in situ in a diamond-anvil cell, has been determined by single-crystal X-ray diffraction at 1.33 and 1.63 GPa. The pressure-frozen crystal was determined to be orthorhombic, with the space group Pbcn, and isostructural with the low-temperature phase at 0.1 MPa. The CH₂Cl₂ molecules are located on one set of crystallographic twofold axes. The characteristics determined for the CH₂Cl₂ crystal (compression of the close intermolecular contacts, molecular association and the crystal habit of dichloromethane) suggest that the crystal cohesion forces are dominated by HCl interactions rather than by ClCl attractions.

Keywords: dihalomethanes; halogenhalogen interactions; high pressure; molecular volume.


	Structure factor file (CIF format) (11.8 kbytes) Contains datablock 1dcm

	Structure factor file (CIF format) (9.5 kbytes) Contains datablock 2dcm

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