Crystal engineering in the gem-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150 K

Bilton, C.; Howard, J.A.K.; Madhavi, N.N.L.; Desiraju, G.R.; Allen, F.H.; Wilson, C.C.

doi:10.1107/S0108768101008412

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 1
Structure of the Cl compound (2) viewed along the tetragonal c axis, showing A the tetrameric O—H⋯O synthon that forms about the $[\bar 4]$ axes, and B the helical arrangement of Cl⋯Cl interactions around the 4₁ axes. The Cl(2) atoms labelled (and their symmetry-related sets) form a cyclic tetrameric unit that interleaves with synthon A along the $[\bar 4]$ axis. These Cl⋯Cl links are omitted for clarity.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 57| Part 4| July 2001| Pages 560-566

doi:10.1107/S0108768101008412

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