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Rac-cis-Cyclo-hexane-1,2-dicarb-oxy-lic acid-isoquinoline (1/1).

ABSTRACT: In the crystal structure of the title mol-ecular adduct, C(9)H(7)N·C(8)H(12)O(4), the two species are -linked through a carb-oxy-lic acid-isoquinoline O-H?N hydrogen bond. These mol-ecular pairs then inter-associate through the second acid group of the cis-cyclo-hexane-1,2-dicarb-oxy-lic acid molecules, forming a classic centrosymmetric cyclic head-to-head carb-oxy-lic acid-carboxyl O-H?O hydrogen-bonding association [graph-set R(2) (2)(8)], giving a zero-dimensional (cluster) structure, consisting of two of each species.

SUBMITTER: Smith G

PROVIDER: S-EPMC3200759 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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rac-cis-Cyclo-hexane-1,2-dicarb-oxy-lic acid-isoquinoline (1/1).

Smith Graham G Wermuth Urs D UD

Acta crystallographica. Section E, Structure reports online 20110806 Pt 9

In the crystal structure of the title mol-ecular adduct, C(9)H(7)N·C(8)H(12)O(4), the two species are -linked through a carb-oxy-lic acid-isoquinoline O-H⋯N hydrogen bond. These mol-ecular pairs then inter-associate through the second acid group of the cis-cyclo-hexane-1,2-dicarb-oxy-lic acid molecules, forming a classic centrosymmetric cyclic head-to-head carb-oxy-lic acid-carboxyl O-H⋯O hydrogen-bonding association [graph-set R(2) (2)(8)], giving a zero-dimensional (cluster) structure, consist ...[more]

PMID: 22058919

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