Abstract
The reaction between di-
n
-butyltin(
iv
) chloride with the dinegative dithiolate ligand 2-(cyanobenzo)nitrile-dithiolate in two different alcoholic media
viz.
methyl alcohol and ethyl alcohol fortuitously yielded di-
n
-butyltin(
iv
)-bis-(1-methoxy-isoquinoline-4-nitrile thiolate) (
Sn-Me
) and di-
n
-butyltin(
iv
)-bis-(1-ethoxy-isoquinoline-4-nitrile thiolate) (
Sn-Et
). Similarly the reaction of di-
n
-butyltin(
iv
) chloride with 2-methoxy phenyl acetonitrile dithiolate yielded di-
n
-butyltin(
iv
)-2-methoxy phenyl acetonitrile dithiolate (
2-MeCN-Sn
). These compounds have been characterized by micro analyses, IR, UV-vis,
1
H,
13
C and
119
Sn NMR spectroscopy as well as by single crystal X-ray diffraction technique in case of
Sn-Et
,
Sn-Me
. The X-ray analyses revealed that in both
Sn-Me
and
Sn-Et
, the Sn(
iv
) center adopts a skew trapezoidal bipyramidal geometry with Sn at the centre and two sulfur and two ring nitrogen atoms of 1-alkoxy-isoquinoline-4-nitrile thiolates are at the corners of a trapezoid with two
n
-butyl groups adopting axial positions resembling the
cis
–
trans
pathway. Both
Sn-Me
and
Sn-Et
display varied types of non-covalent interactions. The nature of these interactions has been addressed with the aid of Hirshfeld surface analysis, density functional theory and quantum theory of atoms-in-molecules (QTAIM) analyses.