M. Habibi, K. Barati, Hossein Etedali Habibabadi, R. Harrington, W. Clegg
{"title":"Crystal Structure of 3-(4-(Dimethylamino)benzylidene)pentane-2,4-dione","authors":"M. Habibi, K. Barati, Hossein Etedali Habibabadi, R. Harrington, W. Clegg","doi":"10.2116/ANALSCIX.24.X285","DOIUrl":null,"url":null,"abstract":"The title compound (I), C14H17NO2, was synthesized and the structure was investigated by X-ray crystallography. The compound was obtained by an Aldol condensation, and crystallized in the orthorhombic space group P212121 with cell parameters a = 6.6758(9), b = 11.6866(15), c = 16.348(2)A, V = 1275.4(3)A3 and Z = 4. The crystal structure is stabilized by inter and intramolecular C-H…O hydrogen bonds.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"32 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.X285","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The title compound (I), C14H17NO2, was synthesized and the structure was investigated by X-ray crystallography. The compound was obtained by an Aldol condensation, and crystallized in the orthorhombic space group P212121 with cell parameters a = 6.6758(9), b = 11.6866(15), c = 16.348(2)A, V = 1275.4(3)A3 and Z = 4. The crystal structure is stabilized by inter and intramolecular C-H…O hydrogen bonds.
合成了标题化合物C14H17NO2,并用x射线晶体学对其结构进行了研究。该化合物通过Aldol缩合得到,晶胞参数为a = 6.6758(9), b = 11.6866(15), c = 16.348(2) a, V = 1275.4(3)A3, Z = 4,在正交空间群P212121中结晶。分子间和分子内的C-H - O氢键稳定了晶体结构。