Ian S. Leiby, Eric W. Reinheimer, Daniel R. Griffith, Chip Nataro
{"title":"[Fe(CO)3(η - 4-6-外-（4-联苯氨基）环庚-2,4-二烯-1- 1]的x射线结构","authors":"Ian S. Leiby, Eric W. Reinheimer, Daniel R. Griffith, Chip Nataro","doi":"10.1007/s10870-025-01039-4","DOIUrl":null,"url":null,"abstract":"<div><p>The structure of [Fe(CO)<sub>3</sub>(η<sup>4</sup>-6-<i>exo</i>-(4-biphenylamino)cyclohepta-2,4-dien-1-one] [monoclinic, <i>a</i> = 20.368 (1), <i>b</i> <b>=</b> 6.2757(4), <i>c</i> = 29.5214(14), <i>β</i> = 101.024(5), space group C2/c] has been determined. There is a moderate hydrogen-bond between the amine proton and the oxygen atom of the ketone in another molecule. There is no significant π-stacking of the phenyl rings, but the nitrogen atom is fairly planar likely due to interaction with the π-system of the 4-biphenyl group and the hydrogen-bonding.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div><div><p>Addition of two equivalents of 4-biphenylamine to [Fe(CO)<sub>3</sub>(η<sup>5</sup>-cyclohepta-2,4-dien-5-yl-1-one)][BF<sub>4</sub>] results in <i>exo</i>- attack at the coordinated ring forming the [Fe(CO)<sub>3</sub>(η<sup>4</sup>-6-<i>exo</i>-(NH(4-biphenyl)))cyclohepta-2,4-dien-1-one], which was structurally characterized</p></div></div></figure></div></div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"55 2","pages":"92 - 96"},"PeriodicalIF":0.6000,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10870-025-01039-4.pdf","citationCount":"0","resultStr":"{\"title\":\"The X-ray Structure of [Fe(CO)3(η4-6-exo-(4-biphenylamino)cyclohepta-2,4-dien-1-one]\",\"authors\":\"Ian S. Leiby, Eric W. Reinheimer, Daniel R. Griffith, Chip Nataro\",\"doi\":\"10.1007/s10870-025-01039-4\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The structure of [Fe(CO)<sub>3</sub>(η<sup>4</sup>-6-<i>exo</i>-(4-biphenylamino)cyclohepta-2,4-dien-1-one] [monoclinic, <i>a</i> = 20.368 (1), <i>b</i> <b>=</b> 6.2757(4), <i>c</i> = 29.5214(14), <i>β</i> = 101.024(5), space group C2/c] has been determined. There is a moderate hydrogen-bond between the amine proton and the oxygen atom of the ketone in another molecule. There is no significant π-stacking of the phenyl rings, but the nitrogen atom is fairly planar likely due to interaction with the π-system of the 4-biphenyl group and the hydrogen-bonding.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div><div><p>Addition of two equivalents of 4-biphenylamine to [Fe(CO)<sub>3</sub>(η<sup>5</sup>-cyclohepta-2,4-dien-5-yl-1-one)][BF<sub>4</sub>] results in <i>exo</i>- attack at the coordinated ring forming the [Fe(CO)<sub>3</sub>(η<sup>4</sup>-6-<i>exo</i>-(NH(4-biphenyl)))cyclohepta-2,4-dien-1-one], which was structurally characterized</p></div></div></figure></div></div>\",\"PeriodicalId\":615,\"journal\":{\"name\":\"Journal of Chemical Crystallography\",\"volume\":\"55 2\",\"pages\":\"92 - 96\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2025-03-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1007/s10870-025-01039-4.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Crystallography\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10870-025-01039-4\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Crystallography","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10870-025-01039-4","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
摘要
确定了Fe(CO)3(η4-6-外氧-（4-联苯氨基）环庚-2,4-二烯-1- 1][单斜晶，a = 20.368 (1), b = 6.2757(4), c = 29.5214(14), β = 101.024(5)，空间群C2/c]的结构。在另一个分子中的胺质子和酮的氧原子之间有一个中等的氢键。苯基环没有明显的π堆积，但氮原子可能与4-联苯的π体系和氢键相互作用，形成了相当平面的π堆积。[Fe（CO)3（η4-6-外氧-（nh4 -联苯）））)-环庚-2,4-二烯-5-基-1- 1)][BF4]中加入两个等价物的4-联苯胺，在配位环上形成[Fe（CO)3（η4-6-外氧-（nh4 -联苯）））-环庚-2,4-二烯-1- 1]，并对其结构进行了表征
The X-ray Structure of [Fe(CO)3(η4-6-exo-(4-biphenylamino)cyclohepta-2,4-dien-1-one]
The structure of [Fe(CO)3(η4-6-exo-(4-biphenylamino)cyclohepta-2,4-dien-1-one] [monoclinic, a = 20.368 (1), b= 6.2757(4), c = 29.5214(14), β = 101.024(5), space group C2/c] has been determined. There is a moderate hydrogen-bond between the amine proton and the oxygen atom of the ketone in another molecule. There is no significant π-stacking of the phenyl rings, but the nitrogen atom is fairly planar likely due to interaction with the π-system of the 4-biphenyl group and the hydrogen-bonding.
Graphical Abstract
Addition of two equivalents of 4-biphenylamine to [Fe(CO)3(η5-cyclohepta-2,4-dien-5-yl-1-one)][BF4] results in exo- attack at the coordinated ring forming the [Fe(CO)3(η4-6-exo-(NH(4-biphenyl)))cyclohepta-2,4-dien-1-one], which was structurally characterized
期刊介绍：
Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
