{"title":"2,2′-二磺酰基-5,5′-双咪唑基-4,4′-二酮-二甲基甲酰胺-水的三维氢键组装(3/2/4)。","authors":"De-Hong Wu","doi":"10.1107/S0108270113031521","DOIUrl":null,"url":null,"abstract":"<p><p>The title compound, 3C6H4N4O2S2·2C3H7NO·4H2O, comprises three 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione molecules, two dimethylformamide molecules and four water molecules arranged around a crystallographic inversion centre. The non-H atoms within the 5,5'-biimidazolidinylidene molecule are coplanar and these molecules aggregate through N-H···S hydrogen-bonding interactions with cyclic motifs [graph set R2(2)(8)], giving two-dimensional ribbon structures which are close to being parallel. The two independent water molecules associate to form centrosymmetric cyclic hydrogen-bonded (H2O)4 tetrameric units [graph set R4(4)(8)]. The ribbon structures extend along the a axis and are linked through the water tetramers and the dimethylformamide molecules by a combination of two- and three-centre hydrogen bonds, giving an overall three-dimensional structure.</p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":null,"pages":null},"PeriodicalIF":0.8000,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113031521","citationCount":"1","resultStr":"{\"title\":\"Three-dimensional hydrogen-bonded assembly in 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione-dimethylformamide-water (3/2/4).\",\"authors\":\"De-Hong Wu\",\"doi\":\"10.1107/S0108270113031521\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The title compound, 3C6H4N4O2S2·2C3H7NO·4H2O, comprises three 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione molecules, two dimethylformamide molecules and four water molecules arranged around a crystallographic inversion centre. The non-H atoms within the 5,5'-biimidazolidinylidene molecule are coplanar and these molecules aggregate through N-H···S hydrogen-bonding interactions with cyclic motifs [graph set R2(2)(8)], giving two-dimensional ribbon structures which are close to being parallel. The two independent water molecules associate to form centrosymmetric cyclic hydrogen-bonded (H2O)4 tetrameric units [graph set R4(4)(8)]. The ribbon structures extend along the a axis and are linked through the water tetramers and the dimethylformamide molecules by a combination of two- and three-centre hydrogen bonds, giving an overall three-dimensional structure.</p>\",\"PeriodicalId\":7368,\"journal\":{\"name\":\"Acta crystallographica. Section C, Crystal structure communications\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.8000,\"publicationDate\":\"2013-12-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1107/S0108270113031521\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta crystallographica. Section C, Crystal structure communications\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1107/S0108270113031521\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2013/11/21 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica. Section C, Crystal structure communications","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S0108270113031521","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2013/11/21 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}
Three-dimensional hydrogen-bonded assembly in 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione-dimethylformamide-water (3/2/4).
The title compound, 3C6H4N4O2S2·2C3H7NO·4H2O, comprises three 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione molecules, two dimethylformamide molecules and four water molecules arranged around a crystallographic inversion centre. The non-H atoms within the 5,5'-biimidazolidinylidene molecule are coplanar and these molecules aggregate through N-H···S hydrogen-bonding interactions with cyclic motifs [graph set R2(2)(8)], giving two-dimensional ribbon structures which are close to being parallel. The two independent water molecules associate to form centrosymmetric cyclic hydrogen-bonded (H2O)4 tetrameric units [graph set R4(4)(8)]. The ribbon structures extend along the a axis and are linked through the water tetramers and the dimethylformamide molecules by a combination of two- and three-centre hydrogen bonds, giving an overall three-dimensional structure.
期刊介绍：
Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.
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