Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate

The title molecular salt, C5H12NO+·C12H8N5O9− [common name: 4-methylmorpholin-4-ium 1,3-dimethyl-5-(2,4,6-trinitrophenyl)barbiturate], possesses noticeable anticonvulsant and hypnotic activity. In the anion, the 1,3-dimethylbarbituric acid ring and the symmetrically substituted trinitrophenyl ring,...

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Main Authors:	Jeganathan Gomathi, Doraisamyraja Kalaivani
Format:	Article
Language:	English
Published:	International Union of Crystallography 2015-06-01
Series:	Acta Crystallographica Section E: Crystallographic Communications
Subjects:	crystal structure anticonvulsant activity hypnotic activity barbiturate molecular salt hydrogen bonding
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2056989015010075

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spelling	doaj-9e61f62e1868400588b35494eceb37802020-11-24T22:33:51ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-06-0171672372510.1107/S2056989015010075su5140Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olateJeganathan Gomathi0Doraisamyraja Kalaivani1PG and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, Tamil Nadu, IndiaPG and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, Tamil Nadu, IndiaThe title molecular salt, C5H12NO+·C12H8N5O9− [common name: 4-methylmorpholin-4-ium 1,3-dimethyl-5-(2,4,6-trinitrophenyl)barbiturate], possesses noticeable anticonvulsant and hypnotic activity. In the anion, the 1,3-dimethylbarbituric acid ring and the symmetrically substituted trinitrophenyl ring, linked via a C—C bond, are not coplanar but subtend an angle of 44.88 (7)°. The six-membered ring of the 4-methylmorpholin-4-ium cation has a chair conformation. In the crystal, the cation and anion are linked via an N—H...O hydrogen bond. The cation–anion units are linked by a number of C—H...O hydrogen bonds, forming a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S2056989015010075crystal structureanticonvulsant activityhypnotic activitybarbituratemolecular salthydrogen bonding
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Jeganathan Gomathi Doraisamyraja Kalaivani
spellingShingle	Jeganathan Gomathi Doraisamyraja Kalaivani Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate Acta Crystallographica Section E: Crystallographic Communications crystal structure anticonvulsant activity hypnotic activity barbiturate molecular salt hydrogen bonding
author_facet	Jeganathan Gomathi Doraisamyraja Kalaivani
author_sort	Jeganathan Gomathi
title	Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate
title_short	Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate
title_full	Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate
title_fullStr	Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate
title_full_unstemmed	Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate
title_sort	crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate
publisher	International Union of Crystallography
series	Acta Crystallographica Section E: Crystallographic Communications
issn	2056-9890
publishDate	2015-06-01
description	The title molecular salt, C5H12NO+·C12H8N5O9− [common name: 4-methylmorpholin-4-ium 1,3-dimethyl-5-(2,4,6-trinitrophenyl)barbiturate], possesses noticeable anticonvulsant and hypnotic activity. In the anion, the 1,3-dimethylbarbituric acid ring and the symmetrically substituted trinitrophenyl ring, linked via a C—C bond, are not coplanar but subtend an angle of 44.88 (7)°. The six-membered ring of the 4-methylmorpholin-4-ium cation has a chair conformation. In the crystal, the cation and anion are linked via an N—H...O hydrogen bond. The cation–anion units are linked by a number of C—H...O hydrogen bonds, forming a three-dimensional network.
topic	crystal structure anticonvulsant activity hypnotic activity barbiturate molecular salt hydrogen bonding
url	http://scripts.iucr.org/cgi-bin/paper?S2056989015010075
work_keys_str_mv	AT jeganathangomathi crystalstructureandbiologicalevaluationof4methylmorpholin4ium13dimethyl26dioxo5246trinitrophenyl1236tetrahydropyrimidin4olate AT doraisamyrajakalaivani crystalstructureandbiologicalevaluationof4methylmorpholin4ium13dimethyl26dioxo5246trinitrophenyl1236tetrahydropyrimidin4olate
_version_	1725729033305456640

Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate

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