Aarón Pérez-Benítez, Jorge Luis Ariza-Ramírez, Monserrat Fortis-Valera, Rosa Elena Arroyo-Carmona, María Isabel Martínez de la Luz, Diego Ramírez-Contreras, Sylvain Bernès
{"title":"双{[氨基-（亚氨基基）甲基]脲}四-{2-[（二甲基氨基）（亚氨基）甲基]胍}二-μ6-氧化-四-μ3-氧化-四-D-μ2-氧化-八-氧化-钒（V）四水合物。","authors":"Aarón Pérez-Benítez, Jorge Luis Ariza-Ramírez, Monserrat Fortis-Valera, Rosa Elena Arroyo-Carmona, María Isabel Martínez de la Luz, Diego Ramírez-Contreras, Sylvain Bernès","doi":"10.1107/S2414314622006277","DOIUrl":null,"url":null,"abstract":"<p><p>The title compound, (C<sub>4</sub>H<sub>12</sub>N<sub>5</sub>)<sub>4</sub>(C<sub>2</sub>H<sub>7</sub>N<sub>4</sub>O)<sub>2</sub>[V<sub>10</sub>O<sub>28</sub>]·4H<sub>2</sub>O, is a by-product obtained by reacting ammonium metavanadate(V), metformin hydro-chloride and acetic acid in the presence of sodium hypochlorite, at pH = 5. The crystal structure comprises a deca-vanadate(V) anion (V<sub>10</sub>O<sub>28</sub>)<sup>6-</sup> lying on an inversion centre in space group <i>P</i> , while cations and solvent water mol-ecules are placed in general positions, surrounding the anion, and forming numerous N-H⋯O and O-H⋯O hydrogen bonds. Metforminium (C<sub>4</sub>H<sub>12</sub>N<sub>5</sub>)<sup>+</sup> and guanylurea (C<sub>2</sub>H<sub>7</sub>N<sub>4</sub>O)<sup>+</sup> cations display the expected shape. Inter-estingly, in physiology the latter cation is known to be the main metabolite of the former one. The reported structure thus supports the role of sodium hypochlorite as an oxidizing reagent being able to degrade metformin hydro-chloride to form guanylurea.</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 6","pages":"x220627"},"PeriodicalIF":0.0000,"publicationDate":"2022-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462036/pdf/","citationCount":"0","resultStr":"{\"title\":\"Bis{[amino-(iminium-yl)meth-yl]urea} tetra-kis-{2-[(di-methyl-amino)(iminium-yl)meth-yl]guanidine} di-μ<sub>6</sub>-oxido-tetra-μ<sub>3</sub>-oxido-tetra-deca-μ<sub>2</sub>-oxido-octa-oxidodeca-vanadium(V) tetra-hydrate.\",\"authors\":\"Aarón Pérez-Benítez, Jorge Luis Ariza-Ramírez, Monserrat Fortis-Valera, Rosa Elena Arroyo-Carmona, María Isabel Martínez de la Luz, Diego Ramírez-Contreras, Sylvain Bernès\",\"doi\":\"10.1107/S2414314622006277\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The title compound, (C<sub>4</sub>H<sub>12</sub>N<sub>5</sub>)<sub>4</sub>(C<sub>2</sub>H<sub>7</sub>N<sub>4</sub>O)<sub>2</sub>[V<sub>10</sub>O<sub>28</sub>]·4H<sub>2</sub>O, is a by-product obtained by reacting ammonium metavanadate(V), metformin hydro-chloride and acetic acid in the presence of sodium hypochlorite, at pH = 5. The crystal structure comprises a deca-vanadate(V) anion (V<sub>10</sub>O<sub>28</sub>)<sup>6-</sup> lying on an inversion centre in space group <i>P</i> , while cations and solvent water mol-ecules are placed in general positions, surrounding the anion, and forming numerous N-H⋯O and O-H⋯O hydrogen bonds. Metforminium (C<sub>4</sub>H<sub>12</sub>N<sub>5</sub>)<sup>+</sup> and guanylurea (C<sub>2</sub>H<sub>7</sub>N<sub>4</sub>O)<sup>+</sup> cations display the expected shape. Inter-estingly, in physiology the latter cation is known to be the main metabolite of the former one. The reported structure thus supports the role of sodium hypochlorite as an oxidizing reagent being able to degrade metformin hydro-chloride to form guanylurea.</p>\",\"PeriodicalId\":14692,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"7 Pt 6\",\"pages\":\"x220627\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-06-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462036/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S2414314622006277\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2022/6/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2414314622006277","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2022/6/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
The title compound, (C4H12N5)4(C2H7N4O)2[V10O28]·4H2O, is a by-product obtained by reacting ammonium metavanadate(V), metformin hydro-chloride and acetic acid in the presence of sodium hypochlorite, at pH = 5. The crystal structure comprises a deca-vanadate(V) anion (V10O28)6- lying on an inversion centre in space group P , while cations and solvent water mol-ecules are placed in general positions, surrounding the anion, and forming numerous N-H⋯O and O-H⋯O hydrogen bonds. Metforminium (C4H12N5)+ and guanylurea (C2H7N4O)+ cations display the expected shape. Inter-estingly, in physiology the latter cation is known to be the main metabolite of the former one. The reported structure thus supports the role of sodium hypochlorite as an oxidizing reagent being able to degrade metformin hydro-chloride to form guanylurea.
![Bis{[amino-(iminium-yl)meth-yl]urea} tetra-kis-{2-[(di-methyl-amino)(iminium-yl)meth-yl]guanidine} di-μ<sub>6</sub>-oxido-tetra-μ<sub>3</sub>-oxido-tetra-deca-μ<sub>2</sub>-oxido-octa-oxidodeca-vanadium(V) tetra-hydrate.](https://img.booksci.cn/booksciimg/2022-6/2023120978227126125746569553483.jpg)
![Bis{[amino-(iminium-yl)meth-yl]urea} tetra-kis-{2-[(di-methyl-amino)(iminium-yl)meth-yl]guanidine} di-μ<sub>6</sub>-oxido-tetra-μ<sub>3</sub>-oxido-tetra-deca-μ<sub>2</sub>-oxido-octa-oxidodeca-vanadium(V) tetra-hydrate.](https://img.booksci.cn/booksciimg/2022-6/202312097822957836796376653590.jpg)
![Bis{[amino-(iminium-yl)meth-yl]urea} tetra-kis-{2-[(di-methyl-amino)(iminium-yl)meth-yl]guanidine} di-μ<sub>6</sub>-oxido-tetra-μ<sub>3</sub>-oxido-tetra-deca-μ<sub>2</sub>-oxido-octa-oxidodeca-vanadium(V) tetra-hydrate.](https://img.booksci.cn/booksciimg/2022-6/2023120978283736799510587868443.jpg)
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