Carren Nyapola , David O. Juma , Sizwe J. Zamisa , Eric M. Njogu , Bernard Omondi
{"title":"2-Amino-4-ferrocenyl-5-oxo-5 6 7, 8-tetra-hydro-4H-chromene-3-carbo-nitrile一水。","authors":"Carren Nyapola , David O. Juma , Sizwe J. Zamisa , Eric M. Njogu , Bernard Omondi","doi":"10.1107/S2414314625004687","DOIUrl":null,"url":null,"abstract":"<div><div>The crystal packing is consolidated by O—H⋯N, O—H⋯O, N—H⋯O, and N—H⋯π hydrogen bonds, with the solvent water molecule acting as both donor and acceptor. This results in a two-dimensional hydrogen-bonded network extending parallel to the <em>bc</em> plane.</div></div><div><div>In the title hydrate, [Fe(C<sub>5</sub>H<sub>5</sub>)(C<sub>15</sub>H<sub>13</sub>N<sub>2</sub>O<sub>2</sub>)]·H<sub>2</sub>O, the pendent ferrocenyl substituent is significantly rotated against the chromene backbone, with a torsion angle of 56.8 (2)°. Rotational disorder is observed in one of the Cp rings of the ferrocenyl substituents. The crystal packing is consolidated by a network of O—H⋯N, O—H⋯O, N—H⋯O and N—H⋯π hydrogen bonds, prominently involving a solvent water molecule. The water molecule functions as both a hydrogen-bond donor and acceptor, bridging adjacent molecules, leading to the formation of a layer with a distinctive hydrogen-bonded motif propagating parallel to the <em>bc</em> plane<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (312KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 5","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"2-Amino-4-ferrocenyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate\",\"authors\":\"Carren Nyapola , David O. Juma , Sizwe J. Zamisa , Eric M. Njogu , Bernard Omondi\",\"doi\":\"10.1107/S2414314625004687\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The crystal packing is consolidated by O—H⋯N, O—H⋯O, N—H⋯O, and N—H⋯π hydrogen bonds, with the solvent water molecule acting as both donor and acceptor. This results in a two-dimensional hydrogen-bonded network extending parallel to the <em>bc</em> plane.</div></div><div><div>In the title hydrate, [Fe(C<sub>5</sub>H<sub>5</sub>)(C<sub>15</sub>H<sub>13</sub>N<sub>2</sub>O<sub>2</sub>)]·H<sub>2</sub>O, the pendent ferrocenyl substituent is significantly rotated against the chromene backbone, with a torsion angle of 56.8 (2)°. Rotational disorder is observed in one of the Cp rings of the ferrocenyl substituents. The crystal packing is consolidated by a network of O—H⋯N, O—H⋯O, N—H⋯O and N—H⋯π hydrogen bonds, prominently involving a solvent water molecule. The water molecule functions as both a hydrogen-bond donor and acceptor, bridging adjacent molecules, leading to the formation of a layer with a distinctive hydrogen-bonded motif propagating parallel to the <em>bc</em> plane<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (312KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"10 5\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2414314625000392\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314625000392","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
The crystal packing is consolidated by O—H⋯N, O—H⋯O, N—H⋯O, and N—H⋯π hydrogen bonds, with the solvent water molecule acting as both donor and acceptor. This results in a two-dimensional hydrogen-bonded network extending parallel to the bc plane.
In the title hydrate, [Fe(C5H5)(C15H13N2O2)]·H2O, the pendent ferrocenyl substituent is significantly rotated against the chromene backbone, with a torsion angle of 56.8 (2)°. Rotational disorder is observed in one of the Cp rings of the ferrocenyl substituents. The crystal packing is consolidated by a network of O—H⋯N, O—H⋯O, N—H⋯O and N—H⋯π hydrogen bonds, prominently involving a solvent water molecule. The water molecule functions as both a hydrogen-bond donor and acceptor, bridging adjacent molecules, leading to the formation of a layer with a distinctive hydrogen-bonded motif propagating parallel to the bc plane
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