Dirk Hollenwäger, Dominik Leitz, Valentin Bockmair, Andreas J Kornath
{"title":"Monoprotonated species of 2-aminomalonyl difluoride, [C<sub>3</sub>H<sub>4</sub>F<sub>2</sub>NO<sub>2</sub>][H<sub>2</sub>F<sub>3</sub>].","authors":"Dirk Hollenwäger, Dominik Leitz, Valentin Bockmair, Andreas J Kornath","doi":"10.1107/S2053229624012452","DOIUrl":null,"url":null,"abstract":"<p><p>The monoprotonated species of 2-aminomalonyl difluoride, namely, 1,3-difluoro-1,3-dioxopropan-2-aminium dihydrogen trifluoride, [C<sub>3</sub>H<sub>4</sub>F<sub>2</sub>NO<sub>2</sub>][H<sub>2</sub>F<sub>3</sub>], was synthesized from sulfur tetrafluoride in anhydrous hydrogen fluoride (aHF) with [NH<sub>4</sub>][C<sub>3</sub>H<sub>5</sub>NO<sub>4</sub>] as the starting material. The solvent was removed and the salt was dissolved in aHF and crystallized. In the solid state, the three-dimensional network is built by medium-strong N-H...F hydrogen bonds and C...F contacts. This is the first structure determination of an aminoacyl difluoride and the second of an aminoacyl fluoride.</p>","PeriodicalId":7115,"journal":{"name":"Acta Crystallographica Section C Structural Chemistry","volume":" ","pages":"77-81"},"PeriodicalIF":0.7000,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795652/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section C Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S2053229624012452","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/1/8 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The monoprotonated species of 2-aminomalonyl difluoride, namely, 1,3-difluoro-1,3-dioxopropan-2-aminium dihydrogen trifluoride, [C3H4F2NO2][H2F3], was synthesized from sulfur tetrafluoride in anhydrous hydrogen fluoride (aHF) with [NH4][C3H5NO4] as the starting material. The solvent was removed and the salt was dissolved in aHF and crystallized. In the solid state, the three-dimensional network is built by medium-strong N-H...F hydrogen bonds and C...F contacts. This is the first structure determination of an aminoacyl difluoride and the second of an aminoacyl fluoride.
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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