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Structure of 2-hydroxymethyl-4-tert-butylphenol; comparison with 2-hydroxymethyl-4-isopropylphenol

 

作者: M.Halit,   D.Oehler,   M.Perrin,   M.J.Grabowski,   A.Stepien,  

 

期刊: Journal of Crystallographic and Spectroscopic Research  (Springer Available online 2005)
卷期: Volume 17, issue 5  

页码: 597-604

 

ISSN:0277-8068

 

年代: 2005

 

DOI:10.1007/BF01167117

 

出版商: Springer_US-Boston

 

数据来源: Springer

 

摘要:

2-hydroxymethyl-4-tert-butylphenol and 2-hydroxymethyl-4-isopropylphenol are isomorphous; they crystallize in the tetragonal system, space groupI41/a(No. 88); cell parameters area=b=25.205(4) Å, forc=6.705(2) Återt-butyl derivative anda=b=24.340(5) Å,c=6.471(1) Å for the isopropyl derivative. The structures were determined and refined usingShelx76. The respectiveRvalues are 0.068 and 0.076. Thetert-butyl substituent is disordered with two possible orientations. Intramolecular interactions are due to H bonds around the 4 a

 

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