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Die Strukturen der mittleren Ringverbindungen XV. 6‐Ketononanolid (Oxacyclodeca‐2,7‐dion)
Author(s) -
Fedeli Walter,
Dunitz J. D.
Publication year - 1968
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.19680510307
Subject(s) - chemistry , orthorhombic crystal system , ring (chemistry) , molecule , ether , crystallography , stereochemistry , group (periodic table) , crystal structure , organic chemistry
Crystals of 6‐ketononanolide (oxacyclodeca‐2,6‐dione) are orthorhombic, a = 8.886, b = 16.407, c = 11.965 Å, space group Pbca , with 8 molecules in the unit cell. The structure has been solved with the help of direct methods and refined by full‐matrix least‐squares analysis of three‐dimensional intensity data. The conformation of the ring is similar to that previously observed in several cyclodecane derivatives, with the ring oxygen and carbonyl groups so situated as to minimize the number of transannular H … H contacts. Evidence for transannular O(ether) … C(carbonyl) donor‐acceptor attraction is discussed.