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

In the title compound, C17H17N3O3.0.5H2O, 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 re...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2013-10, Vol.69 (10), p.o1589-o1590
Hauptverfasser: Chicha, Hakima, Rakib, El Mostapha, Geffken, Detlef, Saadi, Mohamed, El Ammari, Lahcen
Format: Artikel
Sprache:eng
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Zusammenfassung:In the title compound, C17H17N3O3.0.5H2O, 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.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536813025543