Bis(isonicotinamide-κN)silver(I) trifluoromethanesulfonate acetonitrile disolvate

The reaction of silver(I) triflouromethanesulfonate with isonicotinamide in acetonitrile produces a polymeric structure held together by discrete hydrogen bonds, regium bonds between the metal atom and the solvent molecules, and metal–metal interactions.


Structure description
Silver(I) isonicotinamide complexes have been investigated for the ability to form coordination complexes with a variety of molecular geometries due to amide hydrogenbond synthons in their structure Lian et al. 2007), luminescent properties (Yeşilel et al., 2012), and antibacterial activity (Abu-Youssef et al., 2007;Yu et al., 2020). Our research group interest currently lies in the synthesis of novel metal complexes with biological activity; as part of our research in this area, herein, we describe the synthesis and structure of the title silver(I) complex.
As depicted in Fig. 1, the asymmetric unit of the title compound shows the Ag I ion in a distorted linear coordination environment defined by two N-bonded isonicotamide ligands. Two acetonitrile molecules and a trifluoromethanesulfonate ion complete the asymmetric unit; the acetonitrile molecules sit at opposite sides of the plane defined by N1-Ag1-N3 with the nitrile group facing the silver(I) metal center. All relevant bond lengths and angles involving the Ag atom are presented in Table 1. The angle N1-Ag1-N3 of 172.78 (7) Bhogala et al., 2004;refcode NABYOF;Abu-Youssef et al., 2007;refcode XECZUB01).

Figure 2
Perspective view of the packing structure of the title complex along the crystallographic b axis; H atoms are omitted for clarity.

Figure 1
The molecular structure of the title compound with displacement ellipsoids drawn at the 50% probability level; H atoms are omitted for clarity.  Two different supramolecular interactions involving the silver atom are also responsible for the observed crystal packing: an AgÁ Á ÁAg interaction with a distance between silver atoms of 3.4258 (3) Å , comparable to other silver complexes found in the CSD database (Titov et al., 2018;refcode FINWOR;Titov et al., 2019;refcode PIRCUR); and regium bonds, between the nitrogen of the acetonitrile solvent molecules and the silver atom (Alkorta et al., 2020;Zierkiewicz et al., 2018), with lengths of 2.916 Å for Ag1-N5 and 2.955 Å for Ag1-N6. (Fig. 3)

Synthesis and crystallization
Silver trifluoromethanesulfonate (0.200 g, 0.778 mmol) was added to an acetonitrile solution of isonicotinamide (0.190 g, 1.56 mmol) and stirred for 30 min. The resulting clear solution was used to grow crystals by vapor diffusion with diethyl ether at 278 K.

Refinement
Crystal data, data collection and structure refinement details are summarized in Table 3 where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.002 Δρ max = 0.77 e Å −3 Δρ min = −0.78 e Å −3 Special details Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.