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N-(2-Allyl-4-chloro-2H-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate
The fused five- and six-membered rings in the title compound, C(17)H(16)ClN(3)O(3)S·0.5H(2)O, are practically coplanar, with the maximum deviation from the mean plane being 0.057 (3) Å for the C atom bound to the exocyclic N atom. The indazole system makes a dihedral angle of 66.18 (12)° with the pl...
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/PMC3793831/ https://www.ncbi.nlm.nih.gov/pubmed/24109418 http://dx.doi.org/10.1107/S1600536813020606 |
Sumario: | The fused five- and six-membered rings in the title compound, C(17)H(16)ClN(3)O(3)S·0.5H(2)O, are practically coplanar, with the maximum deviation from the mean plane being 0.057 (3) Å for the C atom bound to the exocyclic N atom. The indazole system makes a dihedral angle of 66.18 (12)° with the plane through the benzene ring, and it is nearly perpendicular to the allyl group, as indicated by the N—N—C—C torsion angle of 79.2 (3)°. In the crystal, the water molecule, lying on a twofold axis, forms O—H⋯N and accepts N—H⋯O hydrogen bonds. Additional C—H⋯O hydrogen bonds contribute to the formation of a chain along the b-axis direction. |
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