Hydrogen bonding in 2-hydroxy((di)thio)benzoates. I. X-ray structures of 2,6-dimethylpiperidinium salts |
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Authors: | Franz Pertlik Werner Mikenda Erich Steinwender |
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Institution: | (1) Institut für Mineralogie and Kristallographie, Universität Wien, Luegerring 1, A-1010 Vienna, Austria;(2) Institut für Organische Chemie, Universität Wien, Währingerstrae 38, A-1090 Vienna, Austria |
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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), an-form (monoclinic,P21/n (14);a=8.005(4)Å,b=22.150(2)Å,c=8.672(4)Å,=101.91(6)°;Z=4;R=0.059) with an intramolecular O-HS hydrogen bond, and a-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-HO 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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