Electronic Resource
Oxford [u.a.]
:
International Union of Crystallography (IUCr)
Acta crystallographica
52 (1996), S. 168-169
ISSN:
1600-5759
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
The title compound, C10H6O3, has been studied by both X-ray diffraction and molecular-mechanics calculations to determine the ring–ring dihedral angle. Calculated and observed values of 5.4 and 5.53 (6)° for this dihedral angle in the crystal were found to be in good agreement; these values were quite different from the calculated value of 40° for the gas-phase structure.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108270195009620
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