Yennawar Hemant P, Tierney John, Cannon Kevin C
The Pennsylvania State University, Department of Biochemistry and Molecular Biology, University Park, PA 16802, USA.
Pennsylvania State University, Brandywine Campus, Department of Chemistry, Brandywine, PA 19063, USA.
Acta Crystallogr E Crystallogr Commun. 2019 Feb 8;75(Pt 3):338-341. doi: 10.1107/S2056989019001592. eCollection 2019 Mar 1.
In the centrosymmetric (racemic) title compound, chlorido-(3-cyclo-hexhyl-2-phenyl-1,3-thia-zolidin-4-one-κ)tri-phenyl-tin(IV), [Sn(CH)Cl(CHNOS)], the tin(IV) atom exhibits a trigonal-bipyramidal coordination geometry with the three phenyl groups in equatorial positions and the chloride anion and ligand oxygen atom present at axial sites [O-Sn-Cl = 175.07 (14)°]. The thia-zolidinone ring of the ligand adopts an envelope conformation with the S atom as the flap. The dihedral angles between the heterocycle ring plane (all atoms) are 44.3 (9)° with respect to the pendant -phenyl plane and 34.3 (11)° to the -cyclo-hexyl ring (all atoms). The -phenyl and -cyclo-hexyl ring are close to orthogonal to each other, with a dihedral angle of 81.1 (4)° between them. In the crystal, mol-ecules are linked by weak C-H⋯Cl hydrogen bonds to generate [001] chains.
在中心对称(外消旋)标题化合物氯代-(3-环己基-2-苯基-1,3-噻唑烷-4-酮-κ)三苯基锡(IV),[Sn(C₆H₅)₃Cl(C₅H₉NOS)]中,锡(IV)原子呈现三角双锥配位几何构型,三个苯基位于赤道平面,氯阴离子和配体氧原子位于轴向位置[O-Sn-Cl = 175.07 (14)°]。配体的噻唑烷酮环采取信封式构象,S原子为瓣。杂环平面(所有原子)与悬垂苯基平面的二面角为44.3 (9)°,与环己基环(所有原子)的二面角为34.3 (11)°。苯基和环己基环彼此接近正交,它们之间的二面角为81.1 (4)°。在晶体中,分子通过弱C-H⋯Cl氢键相连形成[001]链。