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(Z)-Ethyl 2-oxo-3-(1,2-dihydroquinolin-2-yl-idene)propano-ate.

ABSTRACT: Both independent mol-ecules in the asymmetric unit of the tautomeric title compound, C(14)H(13)NO(3), a synthetic product obtained from 2-lithio-methyl-quinoline and diethyl oxalate, crystallize in the enaminone form with a Z configuration around the double bond. Intra-molecular N-H?O hydrogen bonds occur, generating an S(6) graph-set motif. In the crystal, weak inter-molecular C-H?O and ?-? stacking inter-actions [centroid-centroid distances = 3.7020?(14)-3.7429?(13)Å] define a three-dimensional supra-molecular network.

SUBMITTER: Valkonen A

PROVIDER: S-EPMC3007001 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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(Z)-Ethyl 2-oxo-3-(1,2-dihydroquinolin-2-yl-idene)propano-ate.

Valkonen Arto A Kolehmainen Erkki E Ośmiałowski Borys B Gawinecki Ryszard R

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7

Both independent mol-ecules in the asymmetric unit of the tautomeric title compound, C(14)H(13)NO(3), a synthetic product obtained from 2-lithio-methyl-quinoline and diethyl oxalate, crystallize in the enaminone form with a Z configuration around the double bond. Intra-molecular N-H⋯O hydrogen bonds occur, generating an S(6) graph-set motif. In the crystal, weak inter-molecular C-H⋯O and π-π stacking inter-actions [centroid-centroid distances = 3.7020 (14)-3.7429 (13)Å] define a three-dimensiona ...[more]

PMID: 21587963

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