Literature DB >> 18799846

Hydrogen-bond patterns and the structures of 1,4-cyclohexanediol: 2:1 cis:trans-1,4-cyclohexanediol.

James H Loehlin1, Michelle Lee, Christina M Woo.   

Abstract

The structure of a co-crystal with both trans and cis isomers of 1,4-cyclohexanediol (1,4-CHD) is reported. The intermolecular hydrogen-bond patterns are described and compared with those of the all trans structure, using the graph-set model. A second crystal with possible cis/trans disorder is also described. The results of molecular modeling of the simple isomers and conformers are compared with the known structures.

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Year:  2008        PMID: 18799846     DOI: 10.1107/S0108768108019460

Source DB:  PubMed          Journal:  Acta Crystallogr B        ISSN: 0108-7681


  1 in total

1.  Threefold helical assembly via hy-droxy hydrogen bonds: the 2:1 co-crystal of bi-cyclo-[3.3.0]octane-endo-3,endo-7-diol and bi-cyclo-[3.3.0]octane-endo-3,exo-7-diol.

Authors:  Isa Y H Chan; Mohan M Bhadbhade; Roger Bishop
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2021-02-19
  1 in total

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