Abstract

In the title compound, C17H24NO2 +·Br−·H2O, the pentyl group chain in the cation extends nearly perpendicular [N—C—C—C = −64.4 (3)°] to the mean plane of the indole ring with the carboxyl end group twisted such that the dihedral angle between the mean planes of the indole and carb­oxy groups measures 43.2 (4)°. Both ions in the salt form inter­molecular hydrogen bonds (O—H⋯Br and O—H⋯O) with the water mol­ecule. As a result of the Br⋯H—O—H⋯Br inter­actions, a zigzag chain is formed in the c-axis direction. The crystal packing is influenced by the collective action of the O—H⋯O and O—H⋯Br inter­molecular inter­actions as well as π–π stacking inter­molecular inter­actions between adjacent benzyl rings of the indole group [centroid–centroid distance = 3.721 (13) Å] and inter­molecular C—H⋯π inter­actions between a methyl hydrogen and the benzyl ring of the indole group. The O—H⋯Br inter­actions form a distorted tetra­hedral array about the central Br atom. A MOPAC AM1 calculation provides support to these observations.

Highlights

  • Structure ReportsC—C—C = 64.4 (3) ] to the mean plane of the indole ring with the carboxyl end group twisted such that the dihedral angle between the mean planes of the indole and carboxy groups measures 43.2 (4)

  • In the title compound, C17H24NO2 Br H2O, the pentyl group chain in the cation extends nearly perpendicular [N—

  • C—C—C = 64.4 (3) ] to the mean plane of the indole ring with the carboxyl end group twisted such that the dihedral angle between the mean planes of the indole and carboxy groups measures 43.2 (4)

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Summary

Structure Reports

C—C—C = 64.4 (3) ] to the mean plane of the indole ring with the carboxyl end group twisted such that the dihedral angle between the mean planes of the indole and carboxy groups measures 43.2 (4). Both ions in the salt form intermolecular hydrogen bonds (O—H Br and O—H O). H Br interactions, a zigzag chain is formed in the c-axis direction. The O—H Br interactions form a distorted tetrahedral array about the central Br atom.

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