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

Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez

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.identifier.wok	000421552000199
utb.identifier.pubmed	23284509
utb.source	j-scopus
dc.date.accessioned	2013-01-01T22:29:59Z
dc.date.available	2013-01-01T22:29:59Z
dc.description.sponsorship	TBU in Zlin [IGA/FT/2012/043]; Slovenian Research AgencySlovenian Research Agency - Slovenia [P1-0230-0103, BI-CZ/07-08-018]
dc.rights.access	openAccess
utb.contributor.internalauthor	Kafka, Stanislav
utb.contributor.internalauthor	Proisl, Karel
utb.contributor.internalauthor	Kimmel, Roman
utb.fulltext.affiliation	Stanislav Kafka,a Andrej Pevec,b * Karel Proisl,a Roman Kimmel a and Janez Košmrlj b a Department of Chemistry, Faculty of Technology, Tomas Bata University in Zlin, Zlin 76272, Czech Republic, and b Faculty of Chemistry and Chemical Technology,University of Ljubljana, SI-1000 Ljubljana, Slovenia Correspondence e-mail: andrej.pevec@fkkt.uni-lj.si
utb.fulltext.dates	Received 15 October 2012 accepted 17 October 2012
utb.fulltext.sponsorship	This study was supported by the internal grant of TBU in Zlin (No. IGA/FT/2012/043), funded from the resources of specific university research, and the Slovenian Research Agency (Project P1–0230–0103 and Joint Project BI–CZ/07– 08–018). This work was also partly supported through the infrastructure of the EN-FIST Centre of Excellence, Ljubljana.
utb.wos.affiliation	[Kafka, Stanislav; Proisl, Karel; Kimmel, Roman] Tomas Bata Univ Zlin, Fac Technol, Dept Chem, CZ-76272 Zlin, Czech Republic; [Pevec, Andrej; Kosmrlj, Janez] Univ Ljubljana, Fac Chem & Chem Technol, SL-1000 Ljubljana, Slovenia
utb.fulltext.projects	IGA/FT/2012/043 Project P1–0230–0103 and Joint Project BI–CZ/07– 08–018
utb.fulltext.faculty	Faculty of Technology
utb.fulltext.ou	Department of Chemistry