{"title":"1-溴-2,4-附二硫-1-硝基-4-苯基丁二烯的晶体和分子结构","authors":"K. Reid, I. Paul","doi":"10.1039/J29710000952","DOIUrl":null,"url":null,"abstract":"The crystal structure of 1-bromo-2,4-epidithio-1-nitro-4-phenylbutadiene has been determined by three-dimensional counter methods. The crystals are monoclinic, space group P21/c with Z= 4 in a unit cell of dimensions a= 9·281(8), b= 12·457(9), c= 12·713(9)A, and β= 132° 7′(8′). The structure has been refined to R 0·073 for 1677 non-zero reflections measured on an automatic diffractometer. The central eight atoms of the molecule are almost planar with one of the oxygen atoms of the nitro-group being held at a distance of 2·373(7)A from S(2). The S(2)–S(4) distance is 2·074(3)A.","PeriodicalId":17268,"journal":{"name":"Journal of The Chemical Society B: Physical Organic","volume":"8 1","pages":"952-957"},"PeriodicalIF":0.0000,"publicationDate":"1971-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Crystal and molecular structure of 1-bromo-2,4-epidithio-1-nitro-4-phenylbutadiene\",\"authors\":\"K. Reid, I. Paul\",\"doi\":\"10.1039/J29710000952\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The crystal structure of 1-bromo-2,4-epidithio-1-nitro-4-phenylbutadiene has been determined by three-dimensional counter methods. The crystals are monoclinic, space group P21/c with Z= 4 in a unit cell of dimensions a= 9·281(8), b= 12·457(9), c= 12·713(9)A, and β= 132° 7′(8′). The structure has been refined to R 0·073 for 1677 non-zero reflections measured on an automatic diffractometer. The central eight atoms of the molecule are almost planar with one of the oxygen atoms of the nitro-group being held at a distance of 2·373(7)A from S(2). The S(2)–S(4) distance is 2·074(3)A.\",\"PeriodicalId\":17268,\"journal\":{\"name\":\"Journal of The Chemical Society B: Physical Organic\",\"volume\":\"8 1\",\"pages\":\"952-957\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1971-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of The Chemical Society B: Physical Organic\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1039/J29710000952\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of The Chemical Society B: Physical Organic","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1039/J29710000952","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Crystal and molecular structure of 1-bromo-2,4-epidithio-1-nitro-4-phenylbutadiene
The crystal structure of 1-bromo-2,4-epidithio-1-nitro-4-phenylbutadiene has been determined by three-dimensional counter methods. The crystals are monoclinic, space group P21/c with Z= 4 in a unit cell of dimensions a= 9·281(8), b= 12·457(9), c= 12·713(9)A, and β= 132° 7′(8′). The structure has been refined to R 0·073 for 1677 non-zero reflections measured on an automatic diffractometer. The central eight atoms of the molecule are almost planar with one of the oxygen atoms of the nitro-group being held at a distance of 2·373(7)A from S(2). The S(2)–S(4) distance is 2·074(3)A.
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