New derivatives of hydantoin as potential antiproliferative agents: biological and structural characterization in combination with quantum chemical calculations

2014 ◽  
Vol 145 (5) ◽  
pp. 821-833 ◽  
Author(s):  
Sleem Hmuda ◽  
Nemanja Trišović ◽  
Jelena Rogan ◽  
Dejan Poleti ◽  
Željko Vitnik ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Structural Characterization ◽  
Quantum Chemical ◽  
Antiproliferative Agents ◽  
Derivatives Of

Structure and Reactivity of [Mo3-μ3S-(μS2)3]4+Complexes. Quantum Chemical Calculations, X-ray Structural Characterization, and Raman Spectroscopic Measurements

1998 ◽  
Vol 37 (11) ◽  
pp. 2633-2644 ◽  
Author(s):  
María J. Mayor-López ◽  
Jacques Weber ◽  
Kaspar Hegetschweiler ◽  
Marc D. Meienberger ◽  
Felix Joho ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Structural Characterization ◽  
Quantum Chemical ◽  
Spectroscopic Measurements ◽  
X Ray ◽  
Raman Spectroscopic

scholarly journals Synthesis and Structure of Methylsulfanyl Derivatives of Nickel Bis(Dicarbollide)

Molecules ◽  
2019 ◽  
Vol 24 (24) ◽  
pp. 4449 ◽  
Author(s):  
Sergey A. Anufriev ◽  
Kyrill Yu. Suponitsky ◽  
Oleg A. Filippov ◽  
Igor B. Sivaev
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
X Ray Diffraction ◽  
Gauche Conformation ◽  
X Ray ◽  
Derivatives Of ◽  
Transoid Conformation

Symmetrically and unsymmetrically substituted methylsulfanyl derivatives of nickel(III) bis(dicarbollide) (Bu4N)[8,8′-(MeS)2-3,3′-Ni(1,2-C2B9H10)2], (Bu4N)[4,4′-(MeS)2-3,3′-Ni(1,2-C2B9H10)2], and (Bu4N)[4,7′-(MeS)2-3,3′-Ni(1,2-C2B9H10)2] were synthesized, starting from [Ni(acac)2]3 and the corresponding methylsulfanyl derivatives of nido-carborane (Bu4N)[10-MeS-7,8-C2B9H11] and (Bu4N)[10-MeS-7,8-C2B9H11]. Structures of the synthesized metallacarboranes were studied by single-crystal X-ray diffraction and quantum chemical calculations. The symmetrically substituted 8,8′-isomer adopts transoid conformation stabilized by two pairs of intramolecular C–H···S hydrogen bonds between the dicarbollide ligands. The unsymmetrically substituted 4,7′-isomer adopts gauche conformation, which is stabilized by two nonequivalent C–H···S hydrogen bonds and one short chalcogen B–H···S bond (2.53 Å, −1.4 kcal/mol). The gauche conformation was found to be also preferred for the 4,7′-isomer.

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