Abstract
In the title compound, C17H15N3O6S, which crystallized with highly disordered methanol and/or water solvent molecules, the dihedral angle between the the indole and benzene ring systems is 5.3 (2)°, which allows for the formation of intramolecular π–π stacking interactions [centroid–centroid separations = 3.641 (3) and 3.694 (3) Å] and an approximate overall U-shape for the molecule. In the crystal, dimers linked by pairs of Ns—H⋯Oc (s = sulfonamide and c = carboxylate) hydrogen bonds generate R 2 2(10) loops, whereas Ni—H⋯π (i = indole) interactions lead to chains propagating in [100] or [010]. Together, these lead to a three-dimensional network in which the solvent voids are present as intersecting (two-dimensional) systems of [100] and [010] channels. The title compound was found to contain a heavily disordered solvent molecule, which could be methanol or water or a mixture of the two. Due to its uncertain nature and the unresolvable disorder, the data were processed with the SQUEEZE option in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155], which revealed 877.8 Å3 of solvent-accessible volume per unit cell and 126 electron-units of scattering density or 109.7 Å3 (16 electron units) per organic molecule.. This was not included in the calculations of overall formula weight, density and absorption coefficient.
Highlights
C17H15N3O6S, which crystallized with highly disordered methanol and/or water solvent molecules, the dihedral angle between the the indole and benzene ring systems is 5.3 (2), which allows for the formation of intramolecular – stacking interactions [centroid–centroid separations = 3.641 (3) and 3.694 (3) Å] and an approximate overall U-shape for the molecule
Dimers linked by pairs of Ns—H Oc (s = sulfonamide and c = carboxylate) hydrogen bonds generate R22(10) loops, whereas Ni—H
Due to its uncertain nature and the unresolvable disorder, the data were processed with the SQUEEZE option in PLATON [Spek (2009)
Summary
C17H15N3O6S, which crystallized with highly disordered methanol and/or water solvent molecules, the dihedral angle between the the indole and benzene ring systems is 5.3 (2) , which allows for the formation of intramolecular – stacking interactions [centroid–centroid separations = 3.641 (3) and 3.694 (3) Å] and an approximate overall U-shape for the molecule. Dimers linked by pairs of Ns—H Oc (s = sulfonamide and c = carboxylate) hydrogen bonds generate R22(10) loops, whereas Ni—H The title compound was found to contain a heavily disordered solvent molecule, which could be methanol or water or a mixture of the two.
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