The Crystal Structure of Dimedone
Author(s) -
Ishwar Singh,
C. Calvo
Publication year - 1975
Publication title -
canadian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.323
H-Index - 68
eISSN - 1480-3291
pISSN - 0008-4042
DOI - 10.1139/v75-147
Subject(s) - dimedone , monoclinic crystal system , chemistry , crystallography , hydrogen bond , molecule , crystal structure , crystal (programming language) , symmetry (geometry) , solid state , group (periodic table) , organic chemistry , mathematics , catalysis , geometry , computer science , programming language
Dimedone, C 8 H 12 O 2 , crystallizes with monoclinic symmetry, a = 10.079(7), b = 6.835(3), c = 12.438(4) Å, β = 110.24(5)°, space group P2 1 /n and Z = 4. The structure of this compound was solved by direct methods and refined by full-matrix least-squares techniques using 1205 unique reflections to a final R of 0.047. In the solid state it exists in the enolic form and these molecules pack in the crystal in systems of infinite chains linked together by hydrogen bonds in the y direction. These results are virtually the same as recently reported by Semmingsen.
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