{"title":"一些溴氰菊酯的分子和晶体结构","authors":"Karlheinz Sünkel, Christian Klein-Heßling","doi":"10.1007/s10870-024-01026-1","DOIUrl":null,"url":null,"abstract":"<div><p>Crystals of mono- and dibromo as well as two isomeric tribromocymantrenes [Mn(C<sub>5</sub>H<sub>5-n</sub>Br<sub>n</sub>)(CO)<sub>2</sub>(PPh<sub>3</sub>)] (n = 1–3) were obtained and examined by X-ray diffraction. The degree of substitution has only minor influence on bond lengths and angles. However, the relative orientations of bromo substituents and PPh<sub>3</sub> ligand as well as relative orientation of the cyclopentadienyl ring and the MnC<sub>2</sub>P tripod are sensitive to the number and position of bromines. All compounds show weak Br…O interactions, mostly combined with hydrogen bonds, while Br…Br interactions are unimportant. These interactions lead to sometimes complicated chain structures.</p><h3>Graphical Abstract</h3><p>In the crystal structures of the bromocymantrenes [Mn(C<sub>5</sub>H<sub>5-n</sub>Br<sub>n</sub>)(CO)<sub>2</sub>(PPh<sub>3)</sub>] (n = 1–3) a combination of H bonds and Br…O/Br…Br interactions leads to one-dimensional molecular chains or double-chains, which are not further connected in the other dimensions.</p>\n<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"54 4","pages":"336 - 346"},"PeriodicalIF":0.4000,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10870-024-01026-1.pdf","citationCount":"0","resultStr":"{\"title\":\"Molecular and Crystal Structures of Some Bromocymantrenes\",\"authors\":\"Karlheinz Sünkel, Christian Klein-Heßling\",\"doi\":\"10.1007/s10870-024-01026-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Crystals of mono- and dibromo as well as two isomeric tribromocymantrenes [Mn(C<sub>5</sub>H<sub>5-n</sub>Br<sub>n</sub>)(CO)<sub>2</sub>(PPh<sub>3</sub>)] (n = 1–3) were obtained and examined by X-ray diffraction. The degree of substitution has only minor influence on bond lengths and angles. However, the relative orientations of bromo substituents and PPh<sub>3</sub> ligand as well as relative orientation of the cyclopentadienyl ring and the MnC<sub>2</sub>P tripod are sensitive to the number and position of bromines. All compounds show weak Br…O interactions, mostly combined with hydrogen bonds, while Br…Br interactions are unimportant. These interactions lead to sometimes complicated chain structures.</p><h3>Graphical Abstract</h3><p>In the crystal structures of the bromocymantrenes [Mn(C<sub>5</sub>H<sub>5-n</sub>Br<sub>n</sub>)(CO)<sub>2</sub>(PPh<sub>3)</sub>] (n = 1–3) a combination of H bonds and Br…O/Br…Br interactions leads to one-dimensional molecular chains or double-chains, which are not further connected in the other dimensions.</p>\\n<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>\",\"PeriodicalId\":615,\"journal\":{\"name\":\"Journal of Chemical Crystallography\",\"volume\":\"54 4\",\"pages\":\"336 - 346\"},\"PeriodicalIF\":0.4000,\"publicationDate\":\"2024-08-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1007/s10870-024-01026-1.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Crystallography\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10870-024-01026-1\",\"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/s10870-024-01026-1","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Molecular and Crystal Structures of Some Bromocymantrenes
Crystals of mono- and dibromo as well as two isomeric tribromocymantrenes [Mn(C5H5-nBrn)(CO)2(PPh3)] (n = 1–3) were obtained and examined by X-ray diffraction. The degree of substitution has only minor influence on bond lengths and angles. However, the relative orientations of bromo substituents and PPh3 ligand as well as relative orientation of the cyclopentadienyl ring and the MnC2P tripod are sensitive to the number and position of bromines. All compounds show weak Br…O interactions, mostly combined with hydrogen bonds, while Br…Br interactions are unimportant. These interactions lead to sometimes complicated chain structures.
Graphical Abstract
In the crystal structures of the bromocymantrenes [Mn(C5H5-nBrn)(CO)2(PPh3)] (n = 1–3) a combination of H bonds and Br…O/Br…Br interactions leads to one-dimensional molecular chains or double-chains, which are not further connected in the other dimensions.
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.
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