A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S2O3·H2O versus 1-methylpiperazinediium·S2O3·3H2O.
Dmitri O Charkin, Alexandru M Banaru, Semen A Ivanov, Vadim E Kireev, Sergey M Aksenov
{"title":"A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O.","authors":"Dmitri O Charkin, Alexandru M Banaru, Semen A Ivanov, Vadim E Kireev, Sergey M Aksenov","doi":"10.1107/S2052520624007443","DOIUrl":null,"url":null,"abstract":"<p><p>Single crystals of two new compounds, (C<sub>5</sub>H<sub>14</sub>N<sub>2</sub>)S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O (1) and (C<sub>5</sub>H<sub>13</sub>N<sub>2</sub>)<sub>2</sub>S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O (2), were isolated from the reaction products of 1-methylpiperazine, sulfuric acid, and barium thiosulfate in aqueous media. The crystal structures have been determined by single-crystal X-ray diffraction. In agreement to the previous observations, the organic template may contribute to the formation of thiosulfates both as mono- and diprotonated species, but this is the first case where both products are reported for the same organic compound. In both structures 1 and 2, complex nets of hydrogen bonds involve all cations, anions and water molecules. Comparisons are made to the structures of other thiosulfates containing mono- or diprotonated diamine species.</p>","PeriodicalId":7320,"journal":{"name":"Acta crystallographica Section B, Structural science, crystal engineering and materials","volume":" ","pages":""},"PeriodicalIF":1.3000,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica Section B, Structural science, crystal engineering and materials","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S2052520624007443","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Single crystals of two new compounds, (C5H14N2)S2O3·H2O (1) and (C5H13N2)2S2O3·3H2O (2), were isolated from the reaction products of 1-methylpiperazine, sulfuric acid, and barium thiosulfate in aqueous media. The crystal structures have been determined by single-crystal X-ray diffraction. In agreement to the previous observations, the organic template may contribute to the formation of thiosulfates both as mono- and diprotonated species, but this is the first case where both products are reported for the same organic compound. In both structures 1 and 2, complex nets of hydrogen bonds involve all cations, anions and water molecules. Comparisons are made to the structures of other thiosulfates containing mono- or diprotonated diamine species.
期刊介绍:
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.