2-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate

2-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate

In the title structure, C7H9N3O2·H2O, there are two formula units in the asymmetric unit. The molecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C—O distances in the range 1.256 (2)–1.266&#81...

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Bibliographic Details
Main Authors: Christopher R. Sparrow, Edwin H. Walker Jr, Frank R. Fronczek
Format: Article
Language:English
Published: International Union of Crystallography 2010-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810045332
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spelling doaj-027b2669b5c34b60a0e0f69a1d55a8302020-11-25T02:19:31ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-12-016612o3156o315710.1107/S16005368100453322-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrateChristopher R. SparrowEdwin H. Walker JrFrank R. FronczekIn the title structure, C7H9N3O2·H2O, there are two formula units in the asymmetric unit. The molecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C—O distances in the range 1.256 (2)–1.266 (3) Å. The two independent molecules form a hydrogen-bonded R22(16) dimer about an approximate inversion center via N—H...O hydrogen bonds, with N...O distances of 2.766 (2) and 2.888 (2) Å. O—H...O hydrogen bonds involving the water molecules and additional N—H...O hydrogen bonds link these dimers, forming double chains. http://scripts.iucr.org/cgi-bin/paper?S1600536810045332
collection DOAJ
language English
format Article
sources DOAJ
author Christopher R. Sparrow
Edwin H. Walker Jr
Frank R. Fronczek
spellingShingle Christopher R. Sparrow
Edwin H. Walker Jr
Frank R. Fronczek
2-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate
Acta Crystallographica Section E
author_facet Christopher R. Sparrow
Edwin H. Walker Jr
Frank R. Fronczek
author_sort Christopher R. Sparrow
title 2-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate
title_short 2-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate
title_full 2-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate
title_fullStr 2-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate
title_full_unstemmed 2-Amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate
title_sort 2-amino-1-(2-carboxylatoethyl)pyrimidin-1-ium monohydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2010-12-01
description In the title structure, C7H9N3O2·H2O, there are two formula units in the asymmetric unit. The molecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C—O distances in the range 1.256 (2)–1.266 (3) Å. The two independent molecules form a hydrogen-bonded R22(16) dimer about an approximate inversion center via N—H...O hydrogen bonds, with N...O distances of 2.766 (2) and 2.888 (2) Å. O—H...O hydrogen bonds involving the water molecules and additional N—H...O hydrogen bonds link these dimers, forming double chains.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810045332
work_keys_str_mv AT christopherrsparrow 2amino12carboxylatoethylpyrimidin1iummonohydrate
AT edwinhwalkerjr 2amino12carboxylatoethylpyrimidin1iummonohydrate
AT frankrfronczek 2amino12carboxylatoethylpyrimidin1iummonohydrate
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