Abstract
In the title compound, C18H18N2O4S·H2O, the indole and toluene ring systems are oriented at a dihedral angle of 84.51 (9)°. In the crystal, the components are linked by N—H⋯O, O—H⋯O, C—H⋯O and N—H⋯π interactions. These include a short link from the α-C atom of the amino acid fragment.
Highlights
C18H18N2O4SH2O, the indole and toluene ring systems are oriented at a dihedral angle of
Tryptophan-based sulfonamides have been reported as non-hydroxamate TNF-α converting enzyme (TACE) inhibitors (Parka et al, 2009), and in another study (Wang et al, 2007) some are reported as acetohydroxy acid synthase (AHAS)
The H atoms of the water molecule were located in a difference map with O—H = 0.893–0.900Å, and refined as riding with Uiso(H) = Ueq(O)
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.20 e Å3. 54000, Pakistan, and bDepartment of Chemistry, University of Aberdeen, Aberdeen, AB24 3UE, Scotland. Cg3 is the centroid of the C12–C17 ring. R factor = 0.055; wR factor = 0.107; data-to-parameter ratio = 18.4. C18H18N2O4SH2O, the indole and toluene ring systems are oriented at a dihedral angle of. H O, O—H O, C—H O and N—H interactions. These include a short link from the -C atom of the amino acid fragment
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