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3-Ethyl-3-hy-droxy-8-meth-oxy-quinoline-2,4(1H,3H)-dione monohydrate.

ABSTRACT: In the title hydrate, C(12)H(13)NO(4)·H(2)O, the piperidine ring that is fused to the benzene ring is in a sofa conformation with the chiral C atom lying 0.4084?(18)?Å out of the plane of the nine fused-ring atoms. In the crystal, O-H?O and N-H?O hydrogen bonds link the organic mol-ecules and water mol-ecules into chains running along the b-axis direction. The chains are further connected into layers parallel to the bc plane by ?-? inter-actions between inversion-related benzene rings [centroid-centroid distance = 3.8846?(9)?Å].

SUBMITTER: Kafka S

PROVIDER: S-EPMC3515289 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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3-Ethyl-3-hy-droxy-8-meth-oxy-quinoline-2,4(1H,3H)-dione monohydrate.

Kafka Stanislav S Pevec Andrej A Proisl Karel K Kimmel Roman R Košmrlj Janez J

Acta crystallographica. Section E, Structure reports online 20121024 Pt 11

In the title hydrate, C(12)H(13)NO(4)·H(2)O, the piperidine ring that is fused to the benzene ring is in a sofa conformation with the chiral C atom lying 0.4084 (18) Å out of the plane of the nine fused-ring atoms. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the organic mol-ecules and water mol-ecules into chains running along the b-axis direction. The chains are further connected into layers parallel to the bc plane by π-π inter-actions between inversion-related benzene rings [centroid- ...[more]

PMID: 23284509

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