{"title":"(4SR,5RS)-5-(4-氰苯基)-4-三甲基硅基-3-甲基异恶唑啉的晶体结构","authors":"T. Akimoto, H. Hara, T. Nakano,, N. Hirayama","doi":"10.2116/ANALSCIX.24.X165","DOIUrl":null,"url":null,"abstract":"The crystal of the title compound, C14H18N2OSi, belongs to space group P1 with cell dimensions of a = 6.2639(3), b = 10.818(1), c = 12.085(1)A, α = 69.976(4), β = 76.959(5), and γ = 81.566(3)°. The final R value is 0.0486. The isoxazoline ring takes an envelope conformation. The dihedral angle between the isoxazoline and phenyl rings is 103.9(1)°. The Si-C bond bridging the isoxazoline ring and trimethylsilyl group is significantly longer than the other three Si-C bonds.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"19 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal Structure of (4SR,5RS)-5-(4-Cyanophenyl)-4-trimethylsilyl-3-methylisoxazoline\",\"authors\":\"T. Akimoto, H. Hara, T. Nakano,, N. Hirayama\",\"doi\":\"10.2116/ANALSCIX.24.X165\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The crystal of the title compound, C14H18N2OSi, belongs to space group P1 with cell dimensions of a = 6.2639(3), b = 10.818(1), c = 12.085(1)A, α = 69.976(4), β = 76.959(5), and γ = 81.566(3)°. The final R value is 0.0486. The isoxazoline ring takes an envelope conformation. The dihedral angle between the isoxazoline and phenyl rings is 103.9(1)°. The Si-C bond bridging the isoxazoline ring and trimethylsilyl group is significantly longer than the other three Si-C bonds.\",\"PeriodicalId\":7796,\"journal\":{\"name\":\"Analytical Sciences: X-ray Structure Analysis Online\",\"volume\":\"19 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2008-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Analytical Sciences: X-ray Structure Analysis Online\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2116/ANALSCIX.24.X165\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytical Sciences: X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/ANALSCIX.24.X165","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
标题化合物C14H18N2OSi晶体属于空间群P1，胞元尺寸为a = 6.2639(3)， b = 10.818(1)， c = 12.085(1) a， α = 69.976(4)， β = 76.959(5)， γ = 81.566(3)°。最终R值为0.0486。异恶唑啉环呈包络构象。异恶唑啉环与苯基环的二面角为103.9(1)°。桥接异恶唑啉环和三甲基硅基的Si-C键明显长于其他三个Si-C键。
Crystal Structure of (4SR,5RS)-5-(4-Cyanophenyl)-4-trimethylsilyl-3-methylisoxazoline
The crystal of the title compound, C14H18N2OSi, belongs to space group P1 with cell dimensions of a = 6.2639(3), b = 10.818(1), c = 12.085(1)A, α = 69.976(4), β = 76.959(5), and γ = 81.566(3)°. The final R value is 0.0486. The isoxazoline ring takes an envelope conformation. The dihedral angle between the isoxazoline and phenyl rings is 103.9(1)°. The Si-C bond bridging the isoxazoline ring and trimethylsilyl group is significantly longer than the other three Si-C bonds.
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