4-[2-(4-Meth­oxy­phen­yl)eth­yl]-3-(thio­phen-2-ylmeth­yl)-1H-1,2,4-triazol-5(4H)-one monohydrate

In the title compound, C(16)H(17)N(3)O(2)S·H(2)O, the triazole ring makes a dihedral angle of 34.63 (6)° with the benzene ring. The thio­phene ring is disordered over two orientations [occupancy ratio = 0.634 (4):0.366 (4)] which make dihedral angles of 54.61 (16) and 54.57 (31)° with the triazole r...

Descripción completa

Detalles Bibliográficos
Autores principales: Gurumoorthy, Anuradha, Gopalsamy, Vasuki, Ramamurthi, K., Ünlüer, Dilek, Çelik, Fatih
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238856/
https://www.ncbi.nlm.nih.gov/pubmed/22199709
http://dx.doi.org/10.1107/S1600536811045508
_version_ 1782219070283710464
author Gurumoorthy, Anuradha
Gopalsamy, Vasuki
Ramamurthi, K.
Ünlüer, Dilek
Çelik, Fatih
author_facet Gurumoorthy, Anuradha
Gopalsamy, Vasuki
Ramamurthi, K.
Ünlüer, Dilek
Çelik, Fatih
author_sort Gurumoorthy, Anuradha
collection PubMed
description In the title compound, C(16)H(17)N(3)O(2)S·H(2)O, the triazole ring makes a dihedral angle of 34.63 (6)° with the benzene ring. The thio­phene ring is disordered over two orientations [occupancy ratio = 0.634 (4):0.366 (4)] which make dihedral angles of 54.61 (16) and 54.57 (31)° with the triazole ring. Inter­molecular N—H⋯O and O—H⋯O hydrogen bonds stabilize the crystal structure.
format Online
Article
Text
id pubmed-3238856
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-32388562011-12-23 4-[2-(4-Meth­oxy­phen­yl)eth­yl]-3-(thio­phen-2-ylmeth­yl)-1H-1,2,4-triazol-5(4H)-one monohydrate Gurumoorthy, Anuradha Gopalsamy, Vasuki Ramamurthi, K. Ünlüer, Dilek Çelik, Fatih Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(17)N(3)O(2)S·H(2)O, the triazole ring makes a dihedral angle of 34.63 (6)° with the benzene ring. The thio­phene ring is disordered over two orientations [occupancy ratio = 0.634 (4):0.366 (4)] which make dihedral angles of 54.61 (16) and 54.57 (31)° with the triazole ring. Inter­molecular N—H⋯O and O—H⋯O hydrogen bonds stabilize the crystal structure. International Union of Crystallography 2011-11-05 /pmc/articles/PMC3238856/ /pubmed/22199709 http://dx.doi.org/10.1107/S1600536811045508 Text en © Gurumoorthy et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Gurumoorthy, Anuradha
Gopalsamy, Vasuki
Ramamurthi, K.
Ünlüer, Dilek
Çelik, Fatih
4-[2-(4-Meth­oxy­phen­yl)eth­yl]-3-(thio­phen-2-ylmeth­yl)-1H-1,2,4-triazol-5(4H)-one monohydrate
title 4-[2-(4-Meth­oxy­phen­yl)eth­yl]-3-(thio­phen-2-ylmeth­yl)-1H-1,2,4-triazol-5(4H)-one monohydrate
title_full 4-[2-(4-Meth­oxy­phen­yl)eth­yl]-3-(thio­phen-2-ylmeth­yl)-1H-1,2,4-triazol-5(4H)-one monohydrate
title_fullStr 4-[2-(4-Meth­oxy­phen­yl)eth­yl]-3-(thio­phen-2-ylmeth­yl)-1H-1,2,4-triazol-5(4H)-one monohydrate
title_full_unstemmed 4-[2-(4-Meth­oxy­phen­yl)eth­yl]-3-(thio­phen-2-ylmeth­yl)-1H-1,2,4-triazol-5(4H)-one monohydrate
title_short 4-[2-(4-Meth­oxy­phen­yl)eth­yl]-3-(thio­phen-2-ylmeth­yl)-1H-1,2,4-triazol-5(4H)-one monohydrate
title_sort 4-[2-(4-meth­oxy­phen­yl)eth­yl]-3-(thio­phen-2-ylmeth­yl)-1h-1,2,4-triazol-5(4h)-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238856/
https://www.ncbi.nlm.nih.gov/pubmed/22199709
http://dx.doi.org/10.1107/S1600536811045508
work_keys_str_mv AT gurumoorthyanuradha 424methoxyphenylethyl3thiophen2ylmethyl1h124triazol54honemonohydrate
AT gopalsamyvasuki 424methoxyphenylethyl3thiophen2ylmethyl1h124triazol54honemonohydrate
AT ramamurthik 424methoxyphenylethyl3thiophen2ylmethyl1h124triazol54honemonohydrate
AT unluerdilek 424methoxyphenylethyl3thiophen2ylmethyl1h124triazol54honemonohydrate
AT celikfatih 424methoxyphenylethyl3thiophen2ylmethyl1h124triazol54honemonohydrate

Ejemplares similares