3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate

3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate

In the title hydrate, C4H7N3O2·H2O, all the non-H atoms lie on a crystallographic mirror plane. The H atoms of both methyl groups are disordered over two sets of sites. In the crystal, N—H...Ow and Ow—H...Ok (w = water and k = ketone) hydrogen bonds link the...

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Main Authors: Wei Gao, Xin-Ling Wang, Jing Yang, Xue-Fen Wu
Format: Article
Language:English
Published: International Union of Crystallography 2012-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812023380
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spelling doaj-28aa4e6bec05434887c1d94e2d8741972020-11-25T00:22:24ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-06-01686o1925o192510.1107/S16005368120233803-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrateWei GaoXin-Ling WangJing YangXue-Fen WuIn the title hydrate, C4H7N3O2·H2O, all the non-H atoms lie on a crystallographic mirror plane. The H atoms of both methyl groups are disordered over two sets of sites. In the crystal, N—H...Ow and Ow—H...Ok (w = water and k = ketone) hydrogen bonds link the components into (010) sheets.http://scripts.iucr.org/cgi-bin/paper?S1600536812023380
collection DOAJ
language English
format Article
sources DOAJ
author Wei Gao
Xin-Ling Wang
Jing Yang
Xue-Fen Wu
spellingShingle Wei Gao
Xin-Ling Wang
Jing Yang
Xue-Fen Wu
3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate
Acta Crystallographica Section E
author_facet Wei Gao
Xin-Ling Wang
Jing Yang
Xue-Fen Wu
author_sort Wei Gao
title 3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate
title_short 3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate
title_full 3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate
title_fullStr 3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate
title_full_unstemmed 3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate
title_sort 3-methoxy-4-methyl-1h-1,2,4-triazol-5(4h)-one monohydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2012-06-01
description In the title hydrate, C4H7N3O2·H2O, all the non-H atoms lie on a crystallographic mirror plane. The H atoms of both methyl groups are disordered over two sets of sites. In the crystal, N—H...Ow and Ow—H...Ok (w = water and k = ketone) hydrogen bonds link the components into (010) sheets.
url http://scripts.iucr.org/cgi-bin/paper?S1600536812023380
work_keys_str_mv AT weigao 3methoxy4methyl1h124triazol54honemonohydrate
AT xinlingwang 3methoxy4methyl1h124triazol54honemonohydrate
AT jingyang 3methoxy4methyl1h124triazol54honemonohydrate
AT xuefenwu 3methoxy4methyl1h124triazol54honemonohydrate
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