Cargando…

Ethyl 2-[({[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]carbamo­yl}meth­yl)sulfan­yl]acetate monohydrate

The title compound, C(13)H(16)N(4)O(3)S(2)·H(2)O, crystallizes in a ‘folded’ conformation with the ester group lying over the carbamoyl moiety, with one solvent water mol­ecule. The mol­ecular conformation is stabilized by an intra­molecular C—H⋯O hydrogen bond, and an N—H⋯O hydrogen-bonding inter­a...

Descripción completa

Detalles Bibliográficos
Autores principales: Akkurt, Mehmet, Mague, Joel T., Mohamed, Shaaban K., Hussein, Bahgat R. M., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120541/
https://www.ncbi.nlm.nih.gov/pubmed/25161542
http://dx.doi.org/10.1107/S1600536814012495
_version_ 1782329103256387584
author Akkurt, Mehmet
Mague, Joel T.
Mohamed, Shaaban K.
Hussein, Bahgat R. M.
Albayati, Mustafa R.
author_facet Akkurt, Mehmet
Mague, Joel T.
Mohamed, Shaaban K.
Hussein, Bahgat R. M.
Albayati, Mustafa R.
author_sort Akkurt, Mehmet
collection PubMed
description The title compound, C(13)H(16)N(4)O(3)S(2)·H(2)O, crystallizes in a ‘folded’ conformation with the ester group lying over the carbamoyl moiety, with one solvent water mol­ecule. The mol­ecular conformation is stabilized by an intra­molecular C—H⋯O hydrogen bond, and an N—H⋯O hydrogen-bonding inter­action involving the lattice water mol­ecule. The packing involves N—H⋯N, N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds and consists of tilted layers running approximately parallel to the c axis, with the ester groups on the outer sides of the layers and with channels running parallel to (101).
format Online
Article
Text
id pubmed-4120541
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-41205412014-08-26 Ethyl 2-[({[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]carbamo­yl}meth­yl)sulfan­yl]acetate monohydrate Akkurt, Mehmet Mague, Joel T. Mohamed, Shaaban K. Hussein, Bahgat R. M. Albayati, Mustafa R. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(16)N(4)O(3)S(2)·H(2)O, crystallizes in a ‘folded’ conformation with the ester group lying over the carbamoyl moiety, with one solvent water mol­ecule. The mol­ecular conformation is stabilized by an intra­molecular C—H⋯O hydrogen bond, and an N—H⋯O hydrogen-bonding inter­action involving the lattice water mol­ecule. The packing involves N—H⋯N, N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds and consists of tilted layers running approximately parallel to the c axis, with the ester groups on the outer sides of the layers and with channels running parallel to (101). International Union of Crystallography 2014-06-04 /pmc/articles/PMC4120541/ /pubmed/25161542 http://dx.doi.org/10.1107/S1600536814012495 Text en © Akkurt et al. 2014 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
Akkurt, Mehmet
Mague, Joel T.
Mohamed, Shaaban K.
Hussein, Bahgat R. M.
Albayati, Mustafa R.
Ethyl 2-[({[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]carbamo­yl}meth­yl)sulfan­yl]acetate monohydrate
title Ethyl 2-[({[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]carbamo­yl}meth­yl)sulfan­yl]acetate monohydrate
title_full Ethyl 2-[({[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]carbamo­yl}meth­yl)sulfan­yl]acetate monohydrate
title_fullStr Ethyl 2-[({[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]carbamo­yl}meth­yl)sulfan­yl]acetate monohydrate
title_full_unstemmed Ethyl 2-[({[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]carbamo­yl}meth­yl)sulfan­yl]acetate monohydrate
title_short Ethyl 2-[({[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]carbamo­yl}meth­yl)sulfan­yl]acetate monohydrate
title_sort ethyl 2-[({[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]carbamo­yl}meth­yl)sulfan­yl]acetate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120541/
https://www.ncbi.nlm.nih.gov/pubmed/25161542
http://dx.doi.org/10.1107/S1600536814012495
work_keys_str_mv AT akkurtmehmet ethyl24amino5cyano6methylsulfanylpyridin2ylcarbamoylmethylsulfanylacetatemonohydrate
AT maguejoelt ethyl24amino5cyano6methylsulfanylpyridin2ylcarbamoylmethylsulfanylacetatemonohydrate
AT mohamedshaabank ethyl24amino5cyano6methylsulfanylpyridin2ylcarbamoylmethylsulfanylacetatemonohydrate
AT husseinbahgatrm ethyl24amino5cyano6methylsulfanylpyridin2ylcarbamoylmethylsulfanylacetatemonohydrate
AT albayatimustafar ethyl24amino5cyano6methylsulfanylpyridin2ylcarbamoylmethylsulfanylacetatemonohydrate