5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate

5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate

In the title compound, C10H8Cl2N2O2S·0.5H2O, the atoms in the oxadiazole ring are essentially coplanar (r.m.s. deviation 0.010 Å). The crystal structure is stabilized by intermolecular N—H...O hydrogen bonds involving the water molecule, which is...

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Main Authors: Tashfeen Akhtar, M. Khawar Rauf, Shahid Hameed, Xiaoming Lu
Format: Article
Language:English
Published: International Union of Crystallography 2009-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809029894
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spelling doaj-d83a5754c7fa49ea93b538afbf8820cd2020-11-25T00:51:44ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-09-01659o2075o207610.1107/S16005368090298945-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrateTashfeen AkhtarM. Khawar RaufShahid HameedXiaoming LuIn the title compound, C10H8Cl2N2O2S·0.5H2O, the atoms in the oxadiazole ring are essentially coplanar (r.m.s. deviation 0.010 Å). The crystal structure is stabilized by intermolecular N—H...O hydrogen bonds involving the water molecule, which is situated on an a twofold rotation axis, and two organic molecules, leading to a thione tautomer in the solid state. The C atom attached to the oxadiazole ring adopts a typical sp3 hybridization. The dihedral angle between the mean plane of the benzene ring of the dichlorophenyl group and the mean plane of the oxadiazole ring is 74.18 (4)°. The crystal structure is stabilized by intermolecular N—H...O and O—H...S hydrogen bonds. http://scripts.iucr.org/cgi-bin/paper?S1600536809029894
collection DOAJ
language English
format Article
sources DOAJ
author Tashfeen Akhtar
M. Khawar Rauf
Shahid Hameed
Xiaoming Lu
spellingShingle Tashfeen Akhtar
M. Khawar Rauf
Shahid Hameed
Xiaoming Lu
5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate
Acta Crystallographica Section E
author_facet Tashfeen Akhtar
M. Khawar Rauf
Shahid Hameed
Xiaoming Lu
author_sort Tashfeen Akhtar
title 5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate
title_short 5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate
title_full 5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate
title_fullStr 5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate
title_full_unstemmed 5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate
title_sort 5-[1-(3,4-dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3h)-thione hemihydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-09-01
description In the title compound, C10H8Cl2N2O2S·0.5H2O, the atoms in the oxadiazole ring are essentially coplanar (r.m.s. deviation 0.010 Å). The crystal structure is stabilized by intermolecular N—H...O hydrogen bonds involving the water molecule, which is situated on an a twofold rotation axis, and two organic molecules, leading to a thione tautomer in the solid state. The C atom attached to the oxadiazole ring adopts a typical sp3 hybridization. The dihedral angle between the mean plane of the benzene ring of the dichlorophenyl group and the mean plane of the oxadiazole ring is 74.18 (4)°. The crystal structure is stabilized by intermolecular N—H...O and O—H...S hydrogen bonds.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809029894
work_keys_str_mv AT tashfeenakhtar 5134dichlorophenoxyethyl134oxadiazole23hthionehemihydrate
AT mkhawarrauf 5134dichlorophenoxyethyl134oxadiazole23hthionehemihydrate
AT shahidhameed 5134dichlorophenoxyethyl134oxadiazole23hthionehemihydrate
AT xiaominglu 5134dichlorophenoxyethyl134oxadiazole23hthionehemihydrate
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