Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2H-indazol-2-yl]propanoate monohydrate
In the title compound, C19H21N3O5S·H2O, 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 ...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812051975 |
| _version_ | 1818959223478812672 |
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| author | Najat Abbassi El Mostapha Rakib Abdellah Hannioui Mohamed Saadi Lahcen El Ammari |
| author_facet | Najat Abbassi El Mostapha Rakib Abdellah Hannioui Mohamed Saadi Lahcen El Ammari |
| author_sort | Najat Abbassi |
| collection | DOAJ |
| description | In the title compound, C19H21N3O5S·H2O, 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. |
| first_indexed | 2024-12-20T11:38:14Z |
| format | Article |
| id | doaj.art-74f16f3c4aa04212a1931935c2aaedb7 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T11:38:14Z |
| publishDate | 2013-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-74f16f3c4aa04212a1931935c2aaedb72022-12-21T19:42:04ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-02-01692o190o19110.1107/S1600536812051975Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2H-indazol-2-yl]propanoate monohydrateNajat AbbassiEl Mostapha RakibAbdellah HanniouiMohamed SaadiLahcen El AmmariIn the title compound, C19H21N3O5S·H2O, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536812051975 |
| spellingShingle | Najat Abbassi El Mostapha Rakib Abdellah Hannioui Mohamed Saadi Lahcen El Ammari Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2H-indazol-2-yl]propanoate monohydrate Acta Crystallographica Section E |
| 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812051975 |
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