51581-48-7Relevant academic research and scientific papers
Orthogonal hydrogen/halogen bonding in 1-(2-methoxyphenyl)-1H-imidazole-2(3H)-thione-I2 adduct: An experimental and theoretical study
El-Sheshtawy, Hamdy S.,Ibrahim, Mohamed M.,El-Mehasseb, Ibrahim,El-Kemary, Maged
, p. 120 - 127 (2015)
The molecular complex between 1-(2-methoxyphenyl)-1H-imidazole-2(3H)-thione (HmimOMe) and iodine (I2) was investigated. Single crystal of [(HmimOMe)I2] adduct was grown by slow evaporation technique from chloroform at room temperature. Spectroscopic techniques such as FT-IR and Raman techniques, as well as elemental and thermal analysis were used to characterize the complex. The crystal structure shows that the formed adduct stabilized by two noncovalent interactions, namely, hydrogen bond (HB) and halogen bond (XB). Orthogonal HB/XB associated with iodine atom (I) was observed and fully characterized. The ability of iodine to behave as hydrogen bond acceptor and halogen bond donor was held responsible for the orthogonal HB/XB presence. In addition, the structure of HmimOMeI2 was investigated theoretically using MP2/aug-cc-pVDZ level of theory. Natural bond orbital analysis (NBO) was used to investigate the molecular orbitals interactions and orbitals stabilization energies.
New bis(mercaptoimidazolyl)(pyrazolyl)borate ligands and their zinc complex chemistry
Shu, Mouhai,Walz, Rainer,Wu, Biao,Seebacher, Jan,Vahrenkamp, Heinrich
, p. 2502 - 2511 (2007/10/03)
Nine new tripodal NS2 ligands of the bis(mercaptoimidazolyl)(pyrazolyl)borate type with varying 3-R-mercaptoimidazolyl moieties were prepared as their potassium salts. Treatment with zinc salts yielded the complex types L·Zn-Cl, L·Zn-I, L·Zn-ONO2, L·Zn-OClO3 and [L·Zn(imidazole)]ClO4. Attempts at the formation of L·Zn-OH or cationic L·Zn complexes resulted in dismutation and formation of ZnL2 complexes. Hydrolytic destruction yielded one [OZn4(thiooimidazolate)6] complex. The ZnS2NO coordination which is present in the enzyme-substrate complex of alcohol dehydrogenase could be successfully modelled by an [L·Zn(C2H5OH)]+ complex. The L·Zn-X complexes showed very low catalytic activity in the dehydrogenation of 2-propanol or the hydrogenation of p-nitrobenzaldehyde. The new compounds were identified by a total of 12 structure determinations. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003.
One-pot preparation of 1-substituted imidazole-2-thione from isothiocyanate and amino acetal
Matsuda, Koyo,Yanagisawa, Isao,Isomura, Yasuo,Mase, Toshiyasu,Shibanuma, Tadao
, p. 3565 - 3571 (2007/10/03)
Isothiocyanates were treated with amino acetal and cone. HCl (0.5 eq.) successively in one-pot to afford 1-substituted imidazole-2-thiones in good yields.
Structure activity relationships in reactivators of organophosphorus inhibited acetylcholinesterase. VII. 1 Aryl 2 hydroxyiminomethyl 3 methylimidazolium iodides
Franchetti,Grifantini,Martelli,Stein
, p. 18 - 22,21,22 (2007/10/05)
A series of 1 aryl 2 hydroxyiminomethyl 3 methylimidazolium iodides, where the aryl group is either phenyl or substituted phenyl, was prepared and tested for their reactivating potency on phosphorylated acetylcholinesterase (AChE) and for anti AChE activity. The in vitro testing revealed that some of the new compounds are good reactivators. Correlations between their structure and biological activities have been attempted.
