Synthesis,Crystal Structure and Thermodynamic Calculations of 1,3-Diethyl-5-(diethylaminium)methylene-2-thiobarbituric Acid Adduct |
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Authors: | Kamal Sweidan Murad A AlDamen C Maichle-Mößmer Mohammad S Mubarak |
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Institution: | 1.Department of Chemistry, Faculty of Science,University of Jordan,Amman,Jordan;2.Institut für Anorganische Chemie der Universit?t Tübingen,Tübingen,Germany |
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Abstract: | Abstract 5-(Diethylammonio)methyl]-1,3-diethyl-6-oxo-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinolate (3) was obtained in good yield from the reaction of 1,3-diethyl-6-oxo-5-(1-pyridiniumylmethyl)-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinolate
(2) and diethylamine. The crystal structure of 3 and thermodynamic calculations pertaining to that structure are discussed. The obtained product was characterized using different
techniques including single crystal X-ray diffraction, NMR spectroscopy and uni (bi)-molecular systems in gaseous phase. Compound
3 crystallizes in the monoclinic space group P21/c with unit cell dimensions a = 13.3701(11) ?, b = 10.9983(7) ?, c = 20.8855(15) ?, β = 105.448(6)°, V = 2960.2(15) ?, Z = 8. |
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