U. Osman, Sharmili Silvarajoo, I. Bhat, M. Razali, Mohd Zul Helmi Rozaini, T. B. Ravoof
{"title":"（Z）-4-[4-氟苯基]氨基硫脲4的晶体结构","authors":"U. Osman, Sharmili Silvarajoo, I. Bhat, M. Razali, Mohd Zul Helmi Rozaini, T. B. Ravoof","doi":"10.2116/xraystruct.36.49","DOIUrl":null,"url":null,"abstract":"The present compound, namely ( Z )-4-[4-fluorophenyl]thiosemicarbazide, crystallized in a monoclinic space group, P 2 1 / c , with cell parameters a = 12.1056(8)Å, b = 5.5177(4)Å, c = 12.5617(8)Å, β = 90.063(2) ° , V = 839.06(10)Å 3 , and Z = 4. The structure was solved and the data was refined to reach R and wR indices of 0.0946 and 0.1377, respectively. In the crystal, each molecule was linked to the next molecule by two N–H···S intermolecular hydrogen bonds.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.1000,"publicationDate":"2020-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal Structure of (Z)-4-[4-Fluorophenyl]thiosemicarbazide4\",\"authors\":\"U. Osman, Sharmili Silvarajoo, I. Bhat, M. Razali, Mohd Zul Helmi Rozaini, T. B. Ravoof\",\"doi\":\"10.2116/xraystruct.36.49\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The present compound, namely ( Z )-4-[4-fluorophenyl]thiosemicarbazide, crystallized in a monoclinic space group, P 2 1 / c , with cell parameters a = 12.1056(8)Å, b = 5.5177(4)Å, c = 12.5617(8)Å, β = 90.063(2) ° , V = 839.06(10)Å 3 , and Z = 4. The structure was solved and the data was refined to reach R and wR indices of 0.0946 and 0.1377, respectively. In the crystal, each molecule was linked to the next molecule by two N–H···S intermolecular hydrogen bonds.\",\"PeriodicalId\":23922,\"journal\":{\"name\":\"X-ray Structure Analysis Online\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":0.1000,\"publicationDate\":\"2020-12-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"X-ray Structure Analysis Online\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2116/xraystruct.36.49\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/xraystruct.36.49","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
摘要
该化合物(Z)-4-[4-氟苯基]硫代氨基脲在单斜空间群p21 / c中结晶，晶胞参数为a = 12.1056(8)Å， b = 5.5177(4)Å， c = 12.5617(8)Å， β = 90.063(2)°，V = 839.06(10)Å 3, Z = 4。对结构进行求解，对数据进行细化，得到R和wR指数分别为0.0946和0.1377。在晶体中，每个分子通过两个N-H···S分子间氢键连接到下一个分子。
Crystal Structure of (Z)-4-[4-Fluorophenyl]thiosemicarbazide4
The present compound, namely ( Z )-4-[4-fluorophenyl]thiosemicarbazide, crystallized in a monoclinic space group, P 2 1 / c , with cell parameters a = 12.1056(8)Å, b = 5.5177(4)Å, c = 12.5617(8)Å, β = 90.063(2) ° , V = 839.06(10)Å 3 , and Z = 4. The structure was solved and the data was refined to reach R and wR indices of 0.0946 and 0.1377, respectively. In the crystal, each molecule was linked to the next molecule by two N–H···S intermolecular hydrogen bonds.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
