2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate

2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate

The title compound, C12H14N5O2+·Cl−·H2O, is the monohydrate of the hydrochloride of an oxopurine-derived Schiff base in which protonation took place at the pyridine N atom. The organic cation is essentially planar (r.m.s. of all fitted non-H atoms = 0.0373&...

Full description

Bibliographic Details
Main Authors: Irvin Booysen, Muhammed Ismail, Thomas Gerber, Eric Hosten, Richard Betz
Format: Article
Language:English
Published: International Union of Crystallography 2011-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811033307
id doaj-d847629dc3c341e3a3d34e7ef1142dfa
record_format Article
spelling doaj-d847629dc3c341e3a3d34e7ef1142dfa2020-11-25T02:15:24ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-09-01679o2436o243710.1107/S16005368110333072-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrateIrvin BooysenMuhammed IsmailThomas GerberEric HostenRichard BetzThe title compound, C12H14N5O2+·Cl−·H2O, is the monohydrate of the hydrochloride of an oxopurine-derived Schiff base in which protonation took place at the pyridine N atom. The organic cation is essentially planar (r.m.s. of all fitted non-H atoms = 0.0373 Å). In the crystal, N—H...O and N—H...Cl hydrogen bonds as well as C—H...O and C—H...Cl contacts connect the different entities into a three-dimensional network. The shortest centroid–centroid distance between two pyrimidine rings is 3.6364 (9) Å.http://scripts.iucr.org/cgi-bin/paper?S1600536811033307
collection DOAJ
language English
format Article
sources DOAJ
author Irvin Booysen
Muhammed Ismail
Thomas Gerber
Eric Hosten
Richard Betz
spellingShingle Irvin Booysen
Muhammed Ismail
Thomas Gerber
Eric Hosten
Richard Betz
2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate
Acta Crystallographica Section E
author_facet Irvin Booysen
Muhammed Ismail
Thomas Gerber
Eric Hosten
Richard Betz
author_sort Irvin Booysen
title 2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate
title_short 2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate
title_full 2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate
title_fullStr 2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate
title_full_unstemmed 2-[(E)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate
title_sort 2-[(e)-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-09-01
description The title compound, C12H14N5O2+·Cl−·H2O, is the monohydrate of the hydrochloride of an oxopurine-derived Schiff base in which protonation took place at the pyridine N atom. The organic cation is essentially planar (r.m.s. of all fitted non-H atoms = 0.0373 Å). In the crystal, N—H...O and N—H...Cl hydrogen bonds as well as C—H...O and C—H...Cl contacts connect the different entities into a three-dimensional network. The shortest centroid–centroid distance between two pyrimidine rings is 3.6364 (9) Å.
url http://scripts.iucr.org/cgi-bin/paper?S1600536811033307
work_keys_str_mv AT irvinbooysen 2e6amino13dimethyl24dioxo1234tetrahydropyrimidin5yliminomethylpyridiniumchloridemonohydrate
AT muhammedismail 2e6amino13dimethyl24dioxo1234tetrahydropyrimidin5yliminomethylpyridiniumchloridemonohydrate
AT thomasgerber 2e6amino13dimethyl24dioxo1234tetrahydropyrimidin5yliminomethylpyridiniumchloridemonohydrate
AT erichosten 2e6amino13dimethyl24dioxo1234tetrahydropyrimidin5yliminomethylpyridiniumchloridemonohydrate
AT richardbetz 2e6amino13dimethyl24dioxo1234tetrahydropyrimidin5yliminomethylpyridiniumchloridemonohydrate
_version_ 1724896638874419200

Similar Items