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The Crystal Structure of Methyl β‐orcinol‐carboxylate (= Methyl 2,4‐dihydroxy‐3,6‐dimethylbenzoate)
Author(s) -
Brehm Lotte,
StoeckliEvans Helen,
Tabacchi Raphael,
Bürgi HansBeat
Publication year - 1983
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19830660315
Subject(s) - chemistry , orcinol , carboxylate , intramolecular force , intermolecular force , crystal structure , molecule , methyl group , stereochemistry , crystallography , group (periodic table) , crystal (programming language) , medicinal chemistry , organic chemistry , computer science , programming language
The mono‐arylic compound, methyl β‐orcinol‐carboxylate ( I ) is one of the principal components of lichens which grow on the oak tree. In the crystal structure of I the molecules are H‐bonded to form sheets separated by 3.56 (5) Å. The carbonyl O‐atom of the ester group and the ortho ‐hydroxyl group form a strong intramolecular H‐bond. The IR. spectrum of the solid contains two (O‐‐H)‐stretching frequencies which, by comparison with the spectra of the 4‐methoxy and the 2‐methoxy analogues, can be assigned to one intra‐ and one intermolecular H‐bond.