1-(4-Fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate

1-(4-Fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate

In the title compound, C10H8FN3O·0.5H2O, the dihedral angle between the mean planes of the rings is 99.80 (4)°. The water molecule lies on a twofold axis. Weak intermolecular O—H...N and C—H...O hydrogen bonds link one water molecul...

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Main Authors: Dong-liang Liu, Chen Li, Xin Tian, Song Li, Tao Xiao
Format: Article
Language:English
Published: International Union of Crystallography 2011-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811045429
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spelling doaj-07138afbedf544e99b2ce5a9022d636b2020-11-25T00:50:37ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-12-016712o3170o317010.1107/S16005368110454291-(4-Fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrateDong-liang LiuChen LiXin TianSong LiTao XiaoIn the title compound, C10H8FN3O·0.5H2O, the dihedral angle between the mean planes of the rings is 99.80 (4)°. The water molecule lies on a twofold axis. Weak intermolecular O—H...N and C—H...O hydrogen bonds link one water molecule with four phenylethanone molecules, while intermolecular C—H...O hydrogen bonds involving the ketone group link phenylethanone molecules into layers parallel to (100).http://scripts.iucr.org/cgi-bin/paper?S1600536811045429
collection DOAJ
language English
format Article
sources DOAJ
author Dong-liang Liu
Chen Li
Xin Tian
Song Li
Tao Xiao
spellingShingle Dong-liang Liu
Chen Li
Xin Tian
Song Li
Tao Xiao
1-(4-Fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
Acta Crystallographica Section E
author_facet Dong-liang Liu
Chen Li
Xin Tian
Song Li
Tao Xiao
author_sort Dong-liang Liu
title 1-(4-Fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_short 1-(4-Fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_full 1-(4-Fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_fullStr 1-(4-Fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_full_unstemmed 1-(4-Fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_sort 1-(4-fluorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone hemihydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-12-01
description In the title compound, C10H8FN3O·0.5H2O, the dihedral angle between the mean planes of the rings is 99.80 (4)°. The water molecule lies on a twofold axis. Weak intermolecular O—H...N and C—H...O hydrogen bonds link one water molecule with four phenylethanone molecules, while intermolecular C—H...O hydrogen bonds involving the ketone group link phenylethanone molecules into layers parallel to (100).
url http://scripts.iucr.org/cgi-bin/paper?S1600536811045429
work_keys_str_mv AT dongliangliu 14fluorophenyl21h124triazol1ylethanonehemihydrate
AT chenli 14fluorophenyl21h124triazol1ylethanonehemihydrate
AT xintian 14fluorophenyl21h124triazol1ylethanonehemihydrate
AT songli 14fluorophenyl21h124triazol1ylethanonehemihydrate
AT taoxiao 14fluorophenyl21h124triazol1ylethanonehemihydrate
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