(E)-1-[2-(Benzylsulfanyl)phenyldiazenyl]-4-methoxynaphthalene

Abstract

Key indicatorsSingle-crystal X-ray study T = 293 K Mean (C-C) = 0.004 Å R factor = 0.055 wR factor = 0.094 Data-to-parameter ratio = 12.7For details of how these key indicators were automatically derived from the article, see

Tautomerism in 1-phenylazo-4-naphthols: Experimental results vs quantum-chemical predictions

“…It is first time when structural information for the individual tautomers of 1 is provided and this information, along with the data available in the literature for 4 [11] will be used to estimate the reliability of the individual tautomeric structures optimized by the quantum chemical calculations at various levels of theory and basis sets. In addition we will use a set of experimentally obtained tautomeric constants at room temperature in non-polar solvents in order to evaluate the theoretical predictions of the relative stabilities of the keto and enol tautomers.…”

Chlorido{4-chloro-1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-κ3C,N,S}palladium(II)

“…2. The N?N bond length is typical of other cyclopalladated azoarenes (Neogi et al, 2006), unlike that of other free azoarenes containing thioether moiety (Das et al, 2006). The metal carbon bond length, 1.977 (3) Å, is higher than the reported values of other ortho-palladated azoarenes (Bagchi & Bandyopadhyay, 2007).…”

“…For related literature, see: Bagchi & Bandyopadhyay (2007); Chattopadhyay et al (1991); Das et al (2006); Dupont et al (2005); Kubo et al (2005); Mahapatra et al (1986); Neogi et al (2006); Omae (2004); Pal et al (1992).…”

(E)-4-{[2-(Methylsulfanyl)phenyl]diazenyl}phenol

“…2. The N1\═N2 bond length, 1.2569 (17) Å of the title compound is slightly smaller than other trans azo compounds (Ersanlı et al, 2005;Das et al, 2006). Both the C-N bonds distances of the title compound are almost equal; the values are typical of trans azo compounds (Karadayı et al, 2006).…”

“…For related literature, see: Antonov et al (1998Antonov et al ( ), (1999; Betteridge & John (1973); Burawoy et al (1954); Das et al (2006); Ersanlı et al (2005); Karadayı et al (2006); Liu et al (2005); Li et al (2004); Moggach et al (2005); Pollard et al (1959); Portilla et al (2007); Ş ahin et al (2005).…”