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(2RS,8aRS)-6-Oxo-1,2,3,4,6,7,8,8a-octa-hydro-naphthalene-2-carboxylic acid.

Efthimiopoulos G, Lalancette RA, Thompson HW - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The title racemate, C(11)H(14)O(3), aggregates in the crystal structure as acid-to-ketone O-H⋯O hydrogen-bonding catemers whose components are glide-related.The relative stereochemistry at the carboxyl group arises spontaneously during the synthesis.Two inter-molecular C-H⋯O=C close contacts were found, both involving the acid group.

View Article: PubMed Central - HTML - PubMed

Affiliation: Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, Newark, NJ 07102, USA.

ABSTRACT
The title racemate, C(11)H(14)O(3), aggregates in the crystal structure as acid-to-ketone O-H⋯O hydrogen-bonding catemers whose components are glide-related. The relative stereochemistry at the carboxyl group arises spontaneously during the synthesis. Two inter-molecular C-H⋯O=C close contacts were found, both involving the acid group.

No MeSH data available.


The asymmetric unit of (I), with its numbering. Displacement ellipsoids are drawn at the 40% probability level.
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Fap1: The asymmetric unit of (I), with its numbering. Displacement ellipsoids are drawn at the 40% probability level.


(2RS,8aRS)-6-Oxo-1,2,3,4,6,7,8,8a-octa-hydro-naphthalene-2-carboxylic acid.

Efthimiopoulos G, Lalancette RA, Thompson HW - Acta Crystallogr Sect E Struct Rep Online (2008)

The asymmetric unit of (I), with its numbering. Displacement ellipsoids are drawn at the 40% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2959931&req=5

Fap1: The asymmetric unit of (I), with its numbering. Displacement ellipsoids are drawn at the 40% probability level.
Bottom Line: The title racemate, C(11)H(14)O(3), aggregates in the crystal structure as acid-to-ketone O-H⋯O hydrogen-bonding catemers whose components are glide-related.The relative stereochemistry at the carboxyl group arises spontaneously during the synthesis.Two inter-molecular C-H⋯O=C close contacts were found, both involving the acid group.

View Article: PubMed Central - HTML - PubMed

Affiliation: Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, Newark, NJ 07102, USA.

ABSTRACT
The title racemate, C(11)H(14)O(3), aggregates in the crystal structure as acid-to-ketone O-H⋯O hydrogen-bonding catemers whose components are glide-related. The relative stereochemistry at the carboxyl group arises spontaneously during the synthesis. Two inter-molecular C-H⋯O=C close contacts were found, both involving the acid group.

No MeSH data available.