Towards a system for the systematic structural study of intermolecular interactions in crystals of transition metal complexes.
نویسندگان
چکیده
Pseudo-macrocyclic complexes of copper(II), and in one instance nickel(II), incorporating the bidentate ligands methyl N-(4-oxo-5,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)imidocarbamate and N,N-dimethyl-N'-(4-oxo-5,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)guanidine are reported and their X-ray structures compared with those previously reported for related complexes of two N-(4-oxo- 5,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)alkanimidamides. A feature of these complexes is that they are capable of forming hydrogen bonded chains or chains in which adjacent complexes are linked by phenyl 'embraces'. Changes in supramolecular structure arising from small changes in ligand structure or on crystallisation from different solvents are also discussed.
منابع مشابه
Bioactive Salen-type Schiff Base Transition Metal Complexes as Possible Anticancer Agents
Although metal-based anticancer drugs have been recognized as the most effective agents over the organic compounds, non-selectivity and high toxic effects have limited their applications in a way that only three Pt-analogues have progressed into clinical use. These problems have spurred chemists to develop different strategies based on alternative targets. This work focuses on predicting potenc...
متن کاملBioactive Salen-type Schiff Base Transition Metal Complexes as Possible Anticancer Agents
Although metal-based anticancer drugs have been recognized as the most effective agents over the organic compounds, non-selectivity and high toxic effects have limited their applications in a way that only three Pt-analogues have progressed into clinical use. These problems have spurred chemists to develop different strategies based on alternative targets. This work focuses on predicting potenc...
متن کاملDFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O
In the present work, the sensitivity to the moisture (hygroscopisity) is studied for 3,4-dinitropyrazole (DNP) as a famous energetic molecule. All of the DNP-H2O complex systems (1-3) as well as individual molecules were optimized and bond lengths, bond angles, dihedral angles, charge transfer and stability via NBO analysis, corrected interaction energies with ZPE + BSSE and hydrogen bonds anal...
متن کاملA Density Functional Theory Investigation of d8 Transition Metal(II) (Ni, Pd, Pt) Chloride Complexes of Some Vic-dioximes Derivatives
Herein, a theoretical study on the stability of some vic-dioxime complexes of Ni(II), Pd(II) and Pt(II) in gas and aqueous phases is reported. The DFT/M06/SDD and DFT/M06/6-31G+(d,p) levels of theory were adopted for the metal ions and for every other element respectively. Structural analyses of investigated complexes have revealed square planar geometries stabilized by two O–H⋯Cl hydrogen bond...
متن کاملThe origin of cooperativity in high-spin-low-spin transitions in molecular crystals
A new model for the first-order transitions between the low-spin and high-spin phases of molecular crystals of some transition metal complexes is proposed. Tbe abrupt spin transitions (or those exhibiting thermal hysteresis) are attributed to first-order transitions between the different crystal phases with the sublattice order. The necessary conditions for these transitions to take place are f...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Dalton transactions
دوره 15 شماره
صفحات -
تاریخ انتشار 2005