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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