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Hydrogen bonding in 2-hydroxy((di)thio)benzoates. I. X-ray structures of 2,6-dimethylpiperidinium salts

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Abstract

X-ray structural data are reported for 2′,6′-dimethyl-piperidinium-2-hydroxybenzoate (C14H21NO3, orthorhombic,P2121,21, (19);a=7.983(1)Å,b=12.680(2)Å,c=13.838(2)Å;Z=4;R=0.042) and for two polymorphs of 2′,6′-dimethylpiperidinium-2-hydroxythiobenzoate (C14H21NO2S), anα-form (monoclinic,P21/n (14);a=8.005(4)Å,b=22.150(2)Å,c=8.672(4)Å,β=101.91(6)°;Z=4;R=0.059) with an intramolecular O-H⋯S hydrogen bond, and aβ-form (orthorhombic,P212121 (19);a=8.188(1)Å,b=14.781(2)Å,c=24.163(4)Å;Z=8;R=0.15) with an intramolecular O-H⋯O hydrogen bond. The intra-and intermolecular hydrogen bond patterns are discussed, including the literature data of 2′,6′-dimethylpiperidinium-2-hydroxydithiobenzoate.

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Pertlik, F., Mikenda, W. & Steinwender, E. Hydrogen bonding in 2-hydroxy((di)thio)benzoates. I. X-ray structures of 2,6-dimethylpiperidinium salts. Journal of Crystallographic and Spectroscopic Research 23, 389–395 (1993). https://doi.org/10.1007/BF01159140

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Keywords

  • Hydrogen
  • Physical Chemistry
  • Hydrogen Bond
  • Inorganic Chemistry
  • Thio