Dataset Information


N-(1-Allyl-1H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide hemihydrate.

ABSTRACT: 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 mol-ecule, disordered over two sites related by an inversion center, forms O-H?N bridges between indazole N atoms of two sulfonamide mol-ecules. It is also connected via N-H?O inter-action to the third sulfonamide mol-ecule; however, due to the water mol-ecule disorder, only every second mol-ecule of sulfonamide participates in this inter-action. This missing inter-action 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 mol-ecules are further connected into a three-dimensional network.


PROVIDER: S-EPMC3790445 | BioStudies | 2013-01-01T00:00:00Z

REPOSITORIES: biostudies

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