Structure of 1-phenyl-2,3-dimethyl-5-thiopyrazolone

Autor:	L. P. Grigor'eva, B. E. Zaitsev, L. Ya. Kliot, Lyudmila G. Kuzmina, Z. I. Ezhkova, Yu. T. Struchkov, V. K. Akimov
Rok vydání:	1984
Předmět:	Bond length Quantum chemical Delocalized electron Crystallography chemistry Computational chemistry chemistry.chemical_element General Chemistry Sulfur
Zdroj:	Bulletin of the Academy of Sciences of the USSR Division of Chemical Science. 33:2482-2485
ISSN:	1573-9171 0568-5230
DOI:	10.1007/bf00960265
Popis:	1. The bond length distribution in 1-phenyl-2,3-dimethyl-5-thiopyrazolone indicates high π-electron delocalization relative to antipyrin. This is in accord with the increase in excess π-electron density on the sulfur atom as indicated by quantum chemical calculation. 2. Conjugation between the phenyl and thiopyrazolone fragment does not exist in 1-phenyl-2,3-dimethyl-5-thiopyrazolone.
Databáze:	OpenAIRE
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