Crystal structure of fac-tricarbon-yl(cyclo-hexyl isocyanide-κC)(quinoline-2-carboxyl-ato-κ(2) N,O)rhenium(I)

Charalampos Triantis; Antonio Shegani; Christos Kiritsis; Catherine Raptopoulou; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos

doi:10.1107/S2056989016002206

Crystal structure of fac-tricarbon-yl(cyclo-hexyl isocyanide-κC)(quinoline-2-carboxyl-ato-κ(2) N,O)rhenium(I)

Acta Crystallogr E Crystallogr Commun. 2016 Feb 17;72(Pt 3):358-62. doi: 10.1107/S2056989016002206. eCollection 2016 Mar 1.

Authors

Charalampos Triantis¹, Antonio Shegani¹, Christos Kiritsis¹, Catherine Raptopoulou², Vassilis Psycharis², Maria Pelecanou³, Ioannis Pirmettis¹, Minas Papadopoulos¹

Affiliations

¹ Institute of Nuclear and Radiological Sciences and Technology, Energy and Safety, National Centre for Scientific Research 'Demokritos', 15310 Athens, Greece.
² Institute of Nanoscience and Nanotechnology, National Centre for Scientific Research 'Demokritos', 15310 Athens, Greece.
³ Institute of Biosciences & Applications, National Centre for Scientific Research 'Demokritos', 15310 Athens, Greece.

Abstract

In the title compound, [Re(C10H6NO2)(C7H11N)(CO)3], the Re(I) atom is coordinated by three carbonyl ligands in a facial arrangement and by the N, O and C atoms from a chelating quinaldate anion and a monodentate isocyanide ligand, respectively. The resultant C4NO coordination sphere is distorted octa-hedral. A lengthening of the axial Re-CO bond trans to the isocyanide ligand is indicative of the trans effect. Individual complexes are stacked into rods parallel to [001] through displaced π-π inter-actions. Weak C-H⋯O hydrogen-bonding inter-actions between the rods lead to the formation of layers parallel to (010). These layers are stacked along [010] by C-H⋯H-C van der Waals contacts.

Keywords: Hirshfeld surface analysis; crystal structure; rhenium(I) cyclohexyl isocyanide and quinaldic acid complex; rhenium(I) tricarbonyl complex; structural trans effect.