2,2 ',6,6 '-Tetrachloro-4,4 '-propane2,2-diyldiphenol, 2,2 ',6-tribromo-4,4 '-propane-2,2-diyldiphenol and 2,2 ',6,6 '-tetrabromo-4,4 '-propane-2,2-diyldiphenol

Citation
J. Eriksson et L. Eriksson, 2,2 ',6,6 '-Tetrachloro-4,4 '-propane2,2-diyldiphenol, 2,2 ',6-tribromo-4,4 '-propane-2,2-diyldiphenol and 2,2 ',6,6 '-tetrabromo-4,4 '-propane-2,2-diyldiphenol, ACT CRYST C, 57, 2001, pp. 1308-1312
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
57
Year of publication
2001
Part
11
Pages
1308 - 1312
Database
ISI
SICI code
0108-2701(200111)57:<1308:2'''2'>2.0.ZU;2-A
Abstract
Three flame retardants with very similar molecular structures showing three different packing patterns have been studied. The crystal structure of 2,2 ',6,6'-tetrachloro-4,4'-propane-2,2-diyldiphenol, C15H12Cl4O2, can be descr ibed as a packing of sheets. The packing shows a very short intermolecular Cl . . . Cl contact distance of 3.094 (2) Angstrom between pairs of molecul es inside each sheet. The crystal structure of 2,2',6-tribromo-4,4'-propane -2,2-diyldiphenol, C15H13Br3O2, can be described as a packing of doubly str anded helical square tubes. These square helices are interconnected through Br . . . Br contacts between different helices. Finally, a previously know n structure, 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol [Simonov, C heban, Rotaru & Bels'skii (1986). Kristallografiya, 31, 397-399], C15H12Br4 O2, which is the most commonly used flame retardant and which has twofold r otational symmetry, has been refined in the correct absolute configuration. The structure shows large differences from the chloro analogue with regard to packing, van der Waals distances and hydrogen-bond distances.