Eyad Mallah, Kamal Sweidan, Wael Abu Dayyih, Manfred Steimann, Mahmoud Sunjuk
{"title":"Crystal structure of 1,3-di-cyclo-hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi-thio-ate chloro-form monosolvate.","authors":"Eyad Mallah, Kamal Sweidan, Wael Abu Dayyih, Manfred Steimann, Mahmoud Sunjuk","doi":"10.1107/S1600536814023800","DOIUrl":null,"url":null,"abstract":"<p><p>The title compound, C18H28N2S2·CHCl3, crystallizes as a zwitterion. The C-S bonds are almost equivalent, with lengths of 1.666 (3) and 1.657 (3) Å. The S-C-S bond angle is expanded to 129.54 (16)° and the N-C-N angle is reduced to the tetra-hedal value of 108.8 (2)°. In the crystal, adjacent mol-ecules are linked via C-H⋯S hydrogen bonds, forming chains along [100]. The chloro-form solvent mol-ecule, which is disordered over two positions [occupancy ratio = 0.51 (2):0.49 (2)], is linked to the chain by bifurcated C-H⋯(S,S) hydrogen bonds. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 12","pages":"o1227-8"},"PeriodicalIF":0.9000,"publicationDate":"2014-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814023800","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica. Section E, Structure reports online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S1600536814023800","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2014/12/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The title compound, C18H28N2S2·CHCl3, crystallizes as a zwitterion. The C-S bonds are almost equivalent, with lengths of 1.666 (3) and 1.657 (3) Å. The S-C-S bond angle is expanded to 129.54 (16)° and the N-C-N angle is reduced to the tetra-hedal value of 108.8 (2)°. In the crystal, adjacent mol-ecules are linked via C-H⋯S hydrogen bonds, forming chains along [100]. The chloro-form solvent mol-ecule, which is disordered over two positions [occupancy ratio = 0.51 (2):0.49 (2)], is linked to the chain by bifurcated C-H⋯(S,S) hydrogen bonds.
期刊介绍:
Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.