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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...
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/PMC3790445/ https://www.ncbi.nlm.nih.gov/pubmed/24098264 http://dx.doi.org/10.1107/S1600536813025543 |
Sumario: | 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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