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三苯基氯化锡与3-环己基-2-苯基-1,3-噻唑烷-4-酮1:1加合物的晶体结构

Crystal structure of a 1:1 adduct of tri-phenyl-tin chloride with 3-cyclo-hexhyl-2-phenyl-1,3-thia-zolidin-4-one.

作者信息

Yennawar Hemant P, Tierney John, Cannon Kevin C

机构信息

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.

出版信息

Acta Crystallogr E Crystallogr Commun. 2019 Feb 8;75(Pt 3):338-341. doi: 10.1107/S2056989019001592. eCollection 2019 Mar 1.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a8d/6399697/f16fe7f9479a/e-75-00338-fig1.jpg

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