Author:
Betz Richard,Klüfers Peter
Abstract
The dispiro title compound (systematic name: 1,4,6,13-tetraoxa-2,3-benzodispiro[4.1.4.2]tridecane), C13H14O4, is an asymmetric orthocarbonic acid ester of an aromatic and an aliphatic vicinal diol. C—O bond lengths at the orthoester centre show a typical difference of about 0.06 Å, as has been observed for related spiro esters with an aliphatic component that does not impose steric strain in the vicinity of the orthocarbonic acid centre. The C—O bond-length differences are also observed in density functional theory (DFT) calculations, thus ruling out a decisive influence of intermolecular forces in the crystal structure. The crystal structure is a polar arrangement of the ester molecules established by van der Waals interactions and, atypically for this class of compounds, by a relatively short C—H...O hydrogen bond.
Publisher
International Union of Crystallography (IUCr)
Subject
Condensed Matter Physics,General Materials Science,General Chemistry
Cited by
2 articles.
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