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 3
Structure of (3w) viewed along the tetragonal c-axis showing: A the O—H⋯O hydrogen-bonded network about the 4₂ axes, B the Br⋯Br interaction network about the $[\bar 4]$ axes, and C the O2(w)—H⋯Br hydrogen bonds along the a and b axes. The C≡C—H⋯O2(w) hydrogen bonds run parallel to the c axis, hence cannot be seen in this orientation.

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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