Yao Zhang, Yan Juan Wang, Yuan Yuan Tang, Xiao Gang Chen
{"title":"冠醚包合物 3,4-二氟苯胺二(甲磺酰基)酰胺-18-冠-6 (1/1) 凝块。","authors":"Yao Zhang, Yan Juan Wang, Yuan Yuan Tang, Xiao Gang Chen","doi":"10.1107/S2053229624011872","DOIUrl":null,"url":null,"abstract":"<p><p>In recent years, molecular-based ferroelectric materials have attracted widespread research interest due to their excellent performance. Among them, host-guest-type crown ether inclusion compounds composed of organic ammonium cations, crown ether molecules and corresponding anions have become a star component in the design of molecular-based ferroelectric materials because they are prone to order-disorder phase transitions. Many anions have been studied extensively as counter-ions, such as bis(trifluoromethanesulfonyl)amidate (TFSA<sup>-</sup>), PF<sub>6</sub><sup>-</sup> and [FeCl<sub>4</sub>]<sup>-</sup>. However, crown ether inclusion compounds with di(methanesulfonyl)amidate (DMSA) as the anion have been rarely investigated. Here, we converted TFSA to DMSA to obtain 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1), C<sub>6</sub>H<sub>6</sub>F<sub>2</sub>N<sup>+</sup>·C<sub>2</sub>H<sub>6</sub>NO<sub>4</sub>S<sub>2</sub><sup>-</sup>·C<sub>12</sub>H<sub>24</sub>O<sub>6</sub> or [(3,4-DFA)(18-crown-6)][DMSA]. At both 100 and 300 K, the crystal falls into the space group P2<sub>1</sub>/c. The 3,4-DFA cation forms three well-defined N-H...O hydrogen bonds, positioned at the perching position of the crown ether ring. In contrast to the distinct packing configuration observed in the [(3,4-DFA)(18-crown-6)][TFSA] crystals, where TFSA exhibits a disordered structure, the [(3,4-DFA)(18-crown-6)][DMSA] complex features a staggered arrangement, with DMSA existing in an ordered fashion.</p>","PeriodicalId":7115,"journal":{"name":"Acta Crystallographica Section C Structural Chemistry","volume":" ","pages":""},"PeriodicalIF":0.7000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crown ether inclusion compound 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1) clathrate.\",\"authors\":\"Yao Zhang, Yan Juan Wang, Yuan Yuan Tang, Xiao Gang Chen\",\"doi\":\"10.1107/S2053229624011872\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>In recent years, molecular-based ferroelectric materials have attracted widespread research interest due to their excellent performance. Among them, host-guest-type crown ether inclusion compounds composed of organic ammonium cations, crown ether molecules and corresponding anions have become a star component in the design of molecular-based ferroelectric materials because they are prone to order-disorder phase transitions. Many anions have been studied extensively as counter-ions, such as bis(trifluoromethanesulfonyl)amidate (TFSA<sup>-</sup>), PF<sub>6</sub><sup>-</sup> and [FeCl<sub>4</sub>]<sup>-</sup>. However, crown ether inclusion compounds with di(methanesulfonyl)amidate (DMSA) as the anion have been rarely investigated. Here, we converted TFSA to DMSA to obtain 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1), C<sub>6</sub>H<sub>6</sub>F<sub>2</sub>N<sup>+</sup>·C<sub>2</sub>H<sub>6</sub>NO<sub>4</sub>S<sub>2</sub><sup>-</sup>·C<sub>12</sub>H<sub>24</sub>O<sub>6</sub> or [(3,4-DFA)(18-crown-6)][DMSA]. At both 100 and 300 K, the crystal falls into the space group P2<sub>1</sub>/c. The 3,4-DFA cation forms three well-defined N-H...O hydrogen bonds, positioned at the perching position of the crown ether ring. In contrast to the distinct packing configuration observed in the [(3,4-DFA)(18-crown-6)][TFSA] crystals, where TFSA exhibits a disordered structure, the [(3,4-DFA)(18-crown-6)][DMSA] complex features a staggered arrangement, with DMSA existing in an ordered fashion.</p>\",\"PeriodicalId\":7115,\"journal\":{\"name\":\"Acta Crystallographica Section C Structural Chemistry\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":0.7000,\"publicationDate\":\"2025-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section C Structural Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1107/S2053229624011872\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section C Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S2053229624011872","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
In recent years, molecular-based ferroelectric materials have attracted widespread research interest due to their excellent performance. Among them, host-guest-type crown ether inclusion compounds composed of organic ammonium cations, crown ether molecules and corresponding anions have become a star component in the design of molecular-based ferroelectric materials because they are prone to order-disorder phase transitions. Many anions have been studied extensively as counter-ions, such as bis(trifluoromethanesulfonyl)amidate (TFSA-), PF6- and [FeCl4]-. However, crown ether inclusion compounds with di(methanesulfonyl)amidate (DMSA) as the anion have been rarely investigated. Here, we converted TFSA to DMSA to obtain 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1), C6H6F2N+·C2H6NO4S2-·C12H24O6 or [(3,4-DFA)(18-crown-6)][DMSA]. At both 100 and 300 K, the crystal falls into the space group P21/c. The 3,4-DFA cation forms three well-defined N-H...O hydrogen bonds, positioned at the perching position of the crown ether ring. In contrast to the distinct packing configuration observed in the [(3,4-DFA)(18-crown-6)][TFSA] crystals, where TFSA exhibits a disordered structure, the [(3,4-DFA)(18-crown-6)][DMSA] complex features a staggered arrangement, with DMSA existing in an ordered fashion.
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.