Structure and solid–liquid phase transition thermodynamics of N-(diethylaminothiocarbonyl)benzimido derivatives

Aqueous solubilities of five N-(diethylaminothiocarbonyl)benzimido derivatives at T = 298.15 K

“…The synthesis was performed as described in detail elsewhere (Beyer et al, 1984;Schr€ oder et al, 2011b). A resume as well as details of characterization are given as Supporting Material SM1.…”

“…The possible existence of tautomeric species in the title compounds was subject to previous studies. All solid structures of 1e3 exclusively show the enamine (a) structure (Braun et al, 1988a(Braun et al, , 1988bSchr€ oder et al, 2011bSchr€ oder et al, , 2011c. At the quantum-chemical level of theory relevant to COSMO-RS, the enamine structures are the energetically more favoured ones.…”

“…Reports on the thermochemistry of N-(diethylaminothiocarbonyl)benzimido derivatives (Ribeiro da Silva et al, 2006Silva et al, , 2004b and some of their Nicomplexes (Ribeiro da Silva et al, 2004a) are available. More recently, they were systematically examined for their crystalline structures (Schr€ oder et al, 2011b(Schr€ oder et al, , 2011c, with intent to connect to their fusion thermodynamics (Schr€ oder et al, 2011b).…”