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3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1H,3H)-dione monohydrate

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dc.title 3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1H,3H)-dione monohydrate en
dc.contributor.author Kafka, Stanislav
dc.contributor.author Pevec, Andrej
dc.contributor.author Proisl, Karel
dc.contributor.author Kimmel, Roman
dc.contributor.author Košmrlj, Janez
dc.relation.ispartof Acta Crystallographica Section E: Structure Reports Online
dc.identifier.issn 1600-5368 Scopus Sources, Sherpa/RoMEO, JCR
dc.date.issued 2012
utb.relation.volume 68
utb.relation.issue 11
dc.citation.spage o3199
dc.citation.epage o3200
dc.type article
dc.language.iso en
dc.publisher Wiley-Blackwell Publishing, Inc. en
dc.identifier.doi 10.1107/S1600536812043280
dc.relation.uri http://journals.iucr.org/e/issues/2012/11/00/tk5162/tk5162bdy.html
dc.subject data-to-parameter ratio = 15.9 en
dc.subject mean ̄(C-C) = 0.002 Å en
dc.subject R factor = 0.044 en
dc.subject single-crystal X-ray study en
dc.subject T = 293 K en
dc.subject wR factor = 0.127 en
dc.description.abstract In the title hydrate, C12H13NO4· H2O, 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 molecules and water molecules into chains running along the b-axis direction. The chains are further connected into layers parallel to the bc plane by π-π interactions between inversion-related benzene rings [centroid-centroid distance = 3.8846(9)Å]. en
utb.faculty Faculty of Technology
dc.identifier.uri http://hdl.handle.net/10563/1003063
utb.identifier.rivid RIV/70883521:28110/12:43868120!RIV13-MSM-28110___
utb.identifier.obdid 43868213
utb.identifier.scopus 2-s2.0-84870887170
utb.source j-scopus
dc.date.accessioned 2013-01-01T22:29:59Z
dc.date.available 2013-01-01T22:29:59Z
dc.rights.access openAccess
utb.contributor.internalauthor Kafka, Stanislav
utb.contributor.internalauthor Proisl, Karel
utb.contributor.internalauthor Kimmel, Roman
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