{"title":"Di-tert-butyldiisothiocyanatotin(IV)","authors":"Anne Kamrowski , Hans Reuter","doi":"10.1107/S2414314624012446","DOIUrl":null,"url":null,"abstract":"<div><div>Di-<em>tert</em>-butyldiisothiocyanatotin(IV), <sup><em>t</em></sup>Bu<sub>2</sub>Sn(NCS)<sub>2</sub>, exhibits a new kind of intermolecular association <em>via</em> Sn⋯S interactions resulting in an antiparallel, zigzag arrangement of the molecular dipole moments. The chain-like structure motif is classified as <em>Am</em>2<em>c</em> according to its structure determining symmetry elements.</div></div><div><div>The title compound, [Sn(C<sub>4</sub>H<sub>9</sub>)<sub>2</sub>(NCS)<sub>2</sub>], which crystallizes with one and a half molecules in the asymmetric unit, represents a new structure type for intermolecular sulfur⋯tin interactions, which is characterized by an antiparallel (<em>A</em>) arrangement of the dipole moments of the individual molecules. In the resulting zigzag chains, the molecules are related to each other by mirror planes (<em>m</em>) and twofold rotation axes (2), both perpendicular to the propagation plane, while translation is realized <em>via</em> a glide plane in direction of the crystallographic <em>c</em> axis, a combination of symmetry elements unique in the structural chemistry of diorganotin(IV) dihalides and pseudohalides, <em>R</em><sub>2</sub>Sn<em>X</em><sub>2</sub> with <em>X</em> = Hal or NCS. Its characteristics are subsumed in the term <em>Am</em>2<em>c</em> for this kind of intermolecular association pattern. The tilting of the NSnN-planes in relation to the propagation plane is described in terms of spherical coordinates.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (200KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11799781/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314625000057","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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Abstract
Di-tert-butyldiisothiocyanatotin(IV), tBu2Sn(NCS)2, exhibits a new kind of intermolecular association via Sn⋯S interactions resulting in an antiparallel, zigzag arrangement of the molecular dipole moments. The chain-like structure motif is classified as Am2c according to its structure determining symmetry elements.
The title compound, [Sn(C4H9)2(NCS)2], which crystallizes with one and a half molecules in the asymmetric unit, represents a new structure type for intermolecular sulfur⋯tin interactions, which is characterized by an antiparallel (A) arrangement of the dipole moments of the individual molecules. In the resulting zigzag chains, the molecules are related to each other by mirror planes (m) and twofold rotation axes (2), both perpendicular to the propagation plane, while translation is realized via a glide plane in direction of the crystallographic c axis, a combination of symmetry elements unique in the structural chemistry of diorganotin(IV) dihalides and pseudohalides, R2SnX2 with X = Hal or NCS. Its characteristics are subsumed in the term Am2c for this kind of intermolecular association pattern. The tilting of the NSnN-planes in relation to the propagation plane is described in terms of spherical coordinates.
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