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Ethyl 3-[6-(4-meth­oxy­benzene­sulfon­amido)-2H-indazol-2-yl]propano­ate monohydrate

In the title compound, C(19)H(21)N(3)O(5)S·H(2)O, the central indazole system is essentially planar (r.m.s. deviation = 0.012 Å), while both the benzene ring and the mean plane defined by the non-H atoms of the ethyl propionic ester unit (r.m.s. deviation = 0.087 Å) are nearly perpendicular to the i...

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Autores principales: Abbassi, Najat, Rakib, El Mostapha, Hannioui, Abdellah, 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/PMC3569252/
https://www.ncbi.nlm.nih.gov/pubmed/23424475
http://dx.doi.org/10.1107/S1600536812051975
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author Abbassi, Najat
Rakib, El Mostapha
Hannioui, Abdellah
Saadi, Mohamed
El Ammari, Lahcen
author_facet Abbassi, Najat
Rakib, El Mostapha
Hannioui, Abdellah
Saadi, Mohamed
El Ammari, Lahcen
author_sort Abbassi, Najat
collection PubMed
description In the title compound, C(19)H(21)N(3)O(5)S·H(2)O, the central indazole system is essentially planar (r.m.s. deviation = 0.012 Å), while both the benzene ring and the mean plane defined by the non-H atoms of the ethyl propionic ester unit (r.m.s. deviation = 0.087 Å) are nearly perpendicular to the indazole plane, as indicated by the dihedral angles of 82.45 (8) and 75.62 (8)°, respectively. Consequently, the mol­ecule adopts a U-shaped geometry. In the crystal, the water mol­ecule, which is linked to the indazole system by a strong O—H⋯N hydrogen bond, is also involved in two additional N—H⋯O and O—H⋯O inter­actions, which link the organic mol­ecules into chains along the b-axis direction.
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spelling pubmed-35692522013-02-19 Ethyl 3-[6-(4-meth­oxy­benzene­sulfon­amido)-2H-indazol-2-yl]propano­ate monohydrate Abbassi, Najat Rakib, El Mostapha Hannioui, Abdellah Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(21)N(3)O(5)S·H(2)O, the central indazole system is essentially planar (r.m.s. deviation = 0.012 Å), while both the benzene ring and the mean plane defined by the non-H atoms of the ethyl propionic ester unit (r.m.s. deviation = 0.087 Å) are nearly perpendicular to the indazole plane, as indicated by the dihedral angles of 82.45 (8) and 75.62 (8)°, respectively. Consequently, the mol­ecule adopts a U-shaped geometry. In the crystal, the water mol­ecule, which is linked to the indazole system by a strong O—H⋯N hydrogen bond, is also involved in two additional N—H⋯O and O—H⋯O inter­actions, which link the organic mol­ecules into chains along the b-axis direction. International Union of Crystallography 2013-01-09 /pmc/articles/PMC3569252/ /pubmed/23424475 http://dx.doi.org/10.1107/S1600536812051975 Text en © Abbassi 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
Abbassi, Najat
Rakib, El Mostapha
Hannioui, Abdellah
Saadi, Mohamed
El Ammari, Lahcen
Ethyl 3-[6-(4-meth­oxy­benzene­sulfon­amido)-2H-indazol-2-yl]propano­ate monohydrate
title Ethyl 3-[6-(4-meth­oxy­benzene­sulfon­amido)-2H-indazol-2-yl]propano­ate monohydrate
title_full Ethyl 3-[6-(4-meth­oxy­benzene­sulfon­amido)-2H-indazol-2-yl]propano­ate monohydrate
title_fullStr Ethyl 3-[6-(4-meth­oxy­benzene­sulfon­amido)-2H-indazol-2-yl]propano­ate monohydrate
title_full_unstemmed Ethyl 3-[6-(4-meth­oxy­benzene­sulfon­amido)-2H-indazol-2-yl]propano­ate monohydrate
title_short Ethyl 3-[6-(4-meth­oxy­benzene­sulfon­amido)-2H-indazol-2-yl]propano­ate monohydrate
title_sort ethyl 3-[6-(4-meth­oxy­benzene­sulfon­amido)-2h-indazol-2-yl]propano­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569252/
https://www.ncbi.nlm.nih.gov/pubmed/23424475
http://dx.doi.org/10.1107/S1600536812051975
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