Crystal structures of tris[1-oxopyridine-2-olato(1−)]silicon(IV) chloride chloroform-d1disolvate, tris[1-oxopyridine-2-olato(1−)]silicon(IV) chloride acetonitrile unquantified solvate, andfac-tris[1-oxopyridine-2-thiolato(1−)]silicon(IV) chloride chloroform-d1disolvate

Abstract

The cations in the title salts, [Si(OPO)3]Cl·2CDCl3, (I), [Si(OPO)3]Cl·xCH3CN, (II), andfac-[Si(OPTO)3]Cl·2CDCl3, (III) (OPO = 1-oxo-2-pyridinone, C5H4NO2, and OPTO = 1-oxo-2-pyridinethione, C5H4NOS), have distorted octahedral coordination spheres. The first two structures contain the same cation and anion, but different solvents of crystallization led to different solvates and packing arrangements. In structures (I) and (III), the silicon complex cations and chloride anions are well separated, while in (II), there are two C—H...Cl distances that fall just within the sum of the van der Waals radii of the C and Cl atoms. The pyridine portions of the OPO ligands in (I) and (II) are modeled as disordered with the planar flips of themselves [(I): 0.574 (15):0.426 (15), 0.696 (15):0.304 (15), and 0.621 (15):0.379 (15); (II): 0.555 (13):0.445 (13), 0.604 (14):0.396 (14) and 0.611 (13):0.389 (13)], demonstrating that bothfacandmerisomers are co-crystallized. In (II), highly disordered solvent, located in two independent channels along [100], was unable to be modeled. Reflection contributions from this solvent were fixed and added to the calculated structure factors using the SQUEEZE [Spek (2015).Acta Cryst.C71, 9–18] function of programPLATON, which determined there to be 54 electrons in 225 Å3accounted for per unit cell (25 electrons in 109 Å3in one channel, and 29 electrons in 115 Å3in the other). In (I) and (II), all species lie on general positions. In (III), all species are located along crystallographic threefold axes.