Abstract
The fused five- and six-membered rings in the title compound, C17H16ClN3O3S·0.5H2O, 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.
Highlights
The fused five- and six-membered rings in the title compound, C17H16ClN3O3SÁ0.5H2O, are practically coplanar, with the maximum deviation from the mean plane being 0.057 (3) Afor the C atom bound to the exocyclic N atom
Additional C—HÁ Á ÁO hydrogen bonds contribute to the formation of a chain along the b-axis direction
Symmetry codes: (i) x, y+1, z; (ii) −x+1/2, −y+1/2, −z+1
Summary
Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.004 A; R factor = 0.047; wR factor = 0.122; data-to-parameter ratio = 19.0. The fused five- and six-membered rings in the title compound, C17H16ClN3O3SÁ0.5H2O, are practically coplanar, with the maximum deviation from the mean plane being 0.057 (3) Afor 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). The water molecule, lying on a twofold axis, forms O—HÁ Á ÁN and accepts N—HÁ Á ÁO hydrogen bonds. Additional C—HÁ Á ÁO hydrogen bonds contribute to the formation of a chain along the b-axis direction.
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