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N-(2-Allyl-4-chloro-2H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide hemi-hydrate.

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 mol-ecule, 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.

SUBMITTER: Chicha H

PROVIDER: S-EPMC3793831 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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N-(2-Allyl-4-chloro-2H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide hemi-hydrate.

Chicha Hakima H Kouakou Assoman A Rakib El Mostapha el M Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20130731 Pt 8

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 mol-ecule, lying on a twofold axis, forms O-H⋯N ...[more]

PMID: 24109418

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