{"title":"无水和水合5-氟尿嘧啶与烟酰胺和异烟酰胺共晶体的结构研究","authors":"T. Heinen, Sandra Hoelscher, V. Vasylyeva","doi":"10.1515/zkri-2021-2052","DOIUrl":null,"url":null,"abstract":"Abstract 5-Fluorouracil is a widely used anti-cancer drug which exhibits diverse polymorphic and co-crystalline behavior. Here we report two new solvent-free co-crystals of 5-fluorouracil with model co-formers nicotinamide and isonicotinamide, along with the redetermination of their hydrated analogues. Selected co-formers are categorized as safe and therefore suitable for pharmaceutical applications. Differences and similarities in supramolecular topology of the given structures are discussed. A special emphasis is set on the influence of fluorine moieties on the overall packing and synthetic accessibility of the presented multi-component systems.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"237 1","pages":"109 - 116"},"PeriodicalIF":0.9000,"publicationDate":"2021-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Structural study of anhydrous and hydrated 5-fluorouracil co-crystals with nicotinamide and isonicotinamide\",\"authors\":\"T. Heinen, Sandra Hoelscher, V. Vasylyeva\",\"doi\":\"10.1515/zkri-2021-2052\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Abstract 5-Fluorouracil is a widely used anti-cancer drug which exhibits diverse polymorphic and co-crystalline behavior. Here we report two new solvent-free co-crystals of 5-fluorouracil with model co-formers nicotinamide and isonicotinamide, along with the redetermination of their hydrated analogues. Selected co-formers are categorized as safe and therefore suitable for pharmaceutical applications. Differences and similarities in supramolecular topology of the given structures are discussed. A special emphasis is set on the influence of fluorine moieties on the overall packing and synthetic accessibility of the presented multi-component systems.\",\"PeriodicalId\":48676,\"journal\":{\"name\":\"Zeitschrift Fur Kristallographie-Crystalline Materials\",\"volume\":\"237 1\",\"pages\":\"109 - 116\"},\"PeriodicalIF\":0.9000,\"publicationDate\":\"2021-12-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Zeitschrift Fur Kristallographie-Crystalline Materials\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1515/zkri-2021-2052\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Zeitschrift Fur Kristallographie-Crystalline Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1515/zkri-2021-2052","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Structural study of anhydrous and hydrated 5-fluorouracil co-crystals with nicotinamide and isonicotinamide
Abstract 5-Fluorouracil is a widely used anti-cancer drug which exhibits diverse polymorphic and co-crystalline behavior. Here we report two new solvent-free co-crystals of 5-fluorouracil with model co-formers nicotinamide and isonicotinamide, along with the redetermination of their hydrated analogues. Selected co-formers are categorized as safe and therefore suitable for pharmaceutical applications. Differences and similarities in supramolecular topology of the given structures are discussed. A special emphasis is set on the influence of fluorine moieties on the overall packing and synthetic accessibility of the presented multi-component systems.
期刊介绍：
Zeitschrift für Kristallographie – Crystalline Materials was founded in 1877 by Paul von Groth and is today one of the world’s oldest scientific journals. It offers a place for researchers to present results of their theoretical experimental crystallographic studies. The journal presents significant results on structures and on properties of organic/inorganic substances with crystalline character, periodically ordered, modulated or quasicrystalline on static and dynamic phenomena applying the various methods of diffraction, spectroscopy and microscopy.
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