James T. P. Matshwele, Sebusi Odisitse, Ofentse Mazimba, F. Nareetsile, Lebogang G Julius, Dalitso Keitumetse
{"title":"Crystal Structure of Pyridin-4-ylmethyl 4-Nitrobenzoate, C13H10N2O4","authors":"James T. P. Matshwele, Sebusi Odisitse, Ofentse Mazimba, F. Nareetsile, Lebogang G Julius, Dalitso Keitumetse","doi":"10.2116/xraystruct.38.7","DOIUrl":null,"url":null,"abstract":"placed at geometrically calculated positions and included in the least-squares calculations using the riding-atom model. Their U iso values were fixed at 1.2 U eq of The structure of pyridin-4-ylmethyl 4-nitrobenzoate was determined by the single-crystal X-ray diffraction method. The compound crystallized in a monoclinic system, P 2 1 / n , and the unit cell parameters are, a = 9.981(2), b = 12.347(3), c = 10.161(3)Å, β = 101.450(9), Z = 4, V = 1227.3(5)Å 3 . The crystal structure was solved by intrinsic phasing and refined to final values of R 1 = 0.0451 and wR 2 = 0.1393.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.1000,"publicationDate":"2022-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"3","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/xraystruct.38.7","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: 3
Abstract
placed at geometrically calculated positions and included in the least-squares calculations using the riding-atom model. Their U iso values were fixed at 1.2 U eq of The structure of pyridin-4-ylmethyl 4-nitrobenzoate was determined by the single-crystal X-ray diffraction method. The compound crystallized in a monoclinic system, P 2 1 / n , and the unit cell parameters are, a = 9.981(2), b = 12.347(3), c = 10.161(3)Å, β = 101.450(9), Z = 4, V = 1227.3(5)Å 3 . The crystal structure was solved by intrinsic phasing and refined to final values of R 1 = 0.0451 and wR 2 = 0.1393.