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N-(1-Allyl-1H-indazol-5-yl)-4-meth­oxy­benzene­sulfonamide hemihydrate

In the title compound, C(17)H(17)N(3)O(3) (.)0.5H(2)O, the indazole system makes a dihedral angle of 46.19 (8)° with the plane through the benzene ring and is nearly perpendicular to the allyl group, as indicated by the dihedral angle of 81.2 (3)°. In the crystal, the water mol­ecule, disordered ove...

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Autores principales: Chicha, Hakima, Rakib, El Mostapha, Geffken, Detlef, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790445/
https://www.ncbi.nlm.nih.gov/pubmed/24098264
http://dx.doi.org/10.1107/S1600536813025543
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author Chicha, Hakima
Rakib, El Mostapha
Geffken, Detlef
Saadi, Mohamed
El Ammari, Lahcen
author_facet Chicha, Hakima
Rakib, El Mostapha
Geffken, Detlef
Saadi, Mohamed
El Ammari, Lahcen
author_sort Chicha, Hakima
collection PubMed
description In the title compound, C(17)H(17)N(3)O(3) (.)0.5H(2)O, the indazole system makes a dihedral angle of 46.19 (8)° with the plane through the benzene ring and is nearly perpendicular to the allyl group, as indicated by the dihedral angle of 81.2 (3)°. In the crystal, the water mol­ecule, disordered over two sites related by an inversion center, forms O—H⋯N bridges between indazole N atoms of two sulfonamide mol­ecules. It is also connected via N—H⋯O inter­action to the third sulfonamide mol­ecule; however, due to the water mol­ecule disorder, only every second mol­ecule of sulfonamide participates in this inter­action. This missing inter­action results in a slight disorder of the sulfonamide S,O and N atoms which are split over two sites with half occupancy. With the help of C–H⋯O hydrogen bonds, the mol­ecules are further connected into a three-dimensional network.
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spelling pubmed-37904452013-10-04 N-(1-Allyl-1H-indazol-5-yl)-4-meth­oxy­benzene­sulfonamide hemihydrate Chicha, Hakima Rakib, El Mostapha Geffken, Detlef Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(17)N(3)O(3) (.)0.5H(2)O, the indazole system makes a dihedral angle of 46.19 (8)° with the plane through the benzene ring and is nearly perpendicular to the allyl group, as indicated by the dihedral angle of 81.2 (3)°. In the crystal, the water mol­ecule, disordered over two sites related by an inversion center, forms O—H⋯N bridges between indazole N atoms of two sulfonamide mol­ecules. It is also connected via N—H⋯O inter­action to the third sulfonamide mol­ecule; however, due to the water mol­ecule disorder, only every second mol­ecule of sulfonamide participates in this inter­action. This missing inter­action results in a slight disorder of the sulfonamide S,O and N atoms which are split over two sites with half occupancy. With the help of C–H⋯O hydrogen bonds, the mol­ecules are further connected into a three-dimensional network. International Union of Crystallography 2013-09-28 /pmc/articles/PMC3790445/ /pubmed/24098264 http://dx.doi.org/10.1107/S1600536813025543 Text en © Chicha et al. 2013 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
Chicha, Hakima
Rakib, El Mostapha
Geffken, Detlef
Saadi, Mohamed
El Ammari, Lahcen
N-(1-Allyl-1H-indazol-5-yl)-4-meth­oxy­benzene­sulfonamide hemihydrate
title N-(1-Allyl-1H-indazol-5-yl)-4-meth­oxy­benzene­sulfonamide hemihydrate
title_full N-(1-Allyl-1H-indazol-5-yl)-4-meth­oxy­benzene­sulfonamide hemihydrate
title_fullStr N-(1-Allyl-1H-indazol-5-yl)-4-meth­oxy­benzene­sulfonamide hemihydrate
title_full_unstemmed N-(1-Allyl-1H-indazol-5-yl)-4-meth­oxy­benzene­sulfonamide hemihydrate
title_short N-(1-Allyl-1H-indazol-5-yl)-4-meth­oxy­benzene­sulfonamide hemihydrate
title_sort n-(1-allyl-1h-indazol-5-yl)-4-meth­oxy­benzene­sulfonamide hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790445/
https://www.ncbi.nlm.nih.gov/pubmed/24098264
http://dx.doi.org/10.1107/S1600536813025543
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