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4,4'-(4,5-dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol): structural variation in vicinal dialkynols.

ABSTRACT: The structure of the title compound, C(18)H(22)O(2), contains two non-equivalent molecules which differ primarily in the location of the -OH groups on opposite sides or on the same side of the molecular plane. Inversion-symmetric pairs of molecules form intermolecular O-H...O hydrogen-bonded tetrameric synthons that link non-equivalent molecules into an approximately square double layer parallel to (-102). Recently reported fluorinated analogues [Kane, Meyers, Yu, Gerken & Etzkorn (2011). Eur. J. Org. Chem. pp. 2969-2980] have significantly different structures of varying complexity that incorporate intramolecular hydrogen bonding and suggest that further study of structure versus substituents in vicinal dialkynols could be fruitful.

SUBMITTER: Bond MR 

PROVIDER: S-EPMC3338315 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

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4,4'-(4,5-dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol): structural variation in vicinal dialkynols.

Bond Marcus R MR   Hathaway Bruce A BA   Kilgore Uriah J UJ  

Acta crystallographica. Section C, Crystal structure communications 20120331 Pt 4

The structure of the title compound, C(18)H(22)O(2), contains two non-equivalent molecules which differ primarily in the location of the -OH groups on opposite sides or on the same side of the molecular plane. Inversion-symmetric pairs of molecules form intermolecular O-H...O hydrogen-bonded tetrameric synthons that link non-equivalent molecules into an approximately square double layer parallel to (-102). Recently reported fluorinated analogues [Kane, Meyers, Yu, Gerken & Etzkorn (2011). Eur. J  ...[more]

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