Solid-State Supramolecular Assembly of Salicylic Acid and 2-Pyridone, 3-Hydroxypyridine or 4-Pyridone
نویسندگان
چکیده
منابع مشابه
Synthesis of 4-Pyridone-3-sulfate and an improved synthesis of 3-Hydroxy-4-Pyridone
An improved synthesis of 3-hydroxy-4-pyridone via an Elbs oxidation of 4-pyridone and isolation of 4-pyridone-3-sulfate is described.
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The title compound, C(10)H(15)NO(2), crystallized with three mol-ecules in the asymmetric unit. These three mol-ecules are quite similar except for slight differences in the torsion angles of the substituents on the ring. The isopropyl C-C-N-C torsion angles (towards the carbon next to the ethyl bound carbon), for example, are -150.63 (11), -126.77 (13) and -138.76 (11)° for mol-ecules A, B and...
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The gas-phase thermal tautomerization reaction between 2-hydroxypyridine (2-HPY) and 2-pyridone (2-PY) was investigated by applying 6-311++G** and aug-cc-pvdz basis sets incorporated into some density functional theory (DFT) and coupled cluster with singles and doubles (CCSD) methods. The geometrical structures, dipole moments, HOMO-LUMO energy gaps, total hyperpolarizability, kinetics and ther...
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The reaction 2-pyridone (PY) e 2-hydroxypyridine (HP) has been studied as a prototype of tautomerism of heteroaromatic compounds. Geometrical structures and relative energies of the two tautomers as welt as of the transition state (TS) for the intramolecular hydrogen transfer have been obtained using ab initio methods with different basis sets. Correlation energy is introduced through configura...
متن کامل5-Methyl-2-pyridone
The crystal structure of the title compound, C(6)H(7)NO, is stabilized by inter-molecular N-H⋯O hydrogen bonds, resulting in inversion dimers. The structure is further consolidated by weak C-H⋯O hydrogen bonds.
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ژورنال
عنوان ژورنال: Croatica Chemica Acta
سال: 2017
ISSN: 0011-1643,1334-417X
DOI: 10.5562/cca3339