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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3569252 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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