Über Zinn-haltige Heterocyclen. VIII. 2-Chlor-2-phenyl-1,3,6-trithia-2-stannocan Kristallstruktur und Schwingungsspektren

On Heterocyclic Systems Containing Tin. VIII. 2-Chloro-2-phenyl-1,3,6-trithia-2-stannocane, Crystal Structure and Vibrational Spectra The crystal structure of the title compound has been determined and refined until R = 0.040. The coordination around tin is trigonal bipyramidal (equatorial ligands 2 × S and Ph; axial ligands Sn? Cl 245.3(2) and 1,5-transannular Sn…?S 280.6(2) pm). The eight-membered ring has boat-chair conformation. The vibrational spectra of the title compound and of five analogues with donor O or S and substitution Cl, Ph are given and discussed. The three compounds with donor S have nearly identical aliphatic ring modes (3 × boat-chair conformation), whereas these modes exhibit a conformational change for the case of donor O in the series Cl₂, Ph₂, ClPh substituted tin. The stretching vibrations of the coordination polyhedron Cl_nSnS₂ are in the range 400 to 340 cm^?1. The strong 1,5-transannular Sn…?O or Sn…?S interactions in the cases of Cl substituted Sn are correlated with strong and broad transitions in the range 330 to 280 cm^?1; an extended distance of 5 pm is in correspondence with an approximate decrease of energy by 40 cm^?1.