Zusammenfassung
The chromium (III) complex Cr(NPyPzCa)Cl-2(H2O) (CH3)(2)O (1)
(NPyPzCa stands for N-(2-pyridylmethyl)-2-pyrazinecarboxamide) has been
synthesized and characterized by single crystal X-ray diffraction The
Cr(III) atom exhibits an octahedral geometry due to the coordination of
three donor atoms from carboxamide ligand two chlorine atoms and one
water molecule There is O-H O hydrogen bonds and also pi-pi interactions
between adjacent pyridine and pyrazine rings that seem to be effective
in the stabilization of the crystal packing The topological and
energetic properties of the electron density distribution of all the
metal ligand bonding interactions in this complex have also been
calculated and studied at several DFT levels According to the results
metal ligand bonding interactions belong (from the topological and
energetic point of view) to new interactions that represent a mix of
closed-shell (Ionic) and shared (covalent) characters (C) 2010 Elsevier
Masson SAS All rights reserved
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