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 2
Structure of the Br compound (3) viewed along the pseudotetragonal a axis, showing A the tetrameric O—H⋯O synthon, B the C≡C—H⋯Br hydrogen bond, and C the interaction of the C≡C—H donor with ethynyl π-density.

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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