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3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate

Tushar S. Basu Baul, Anurag Chaurasiya, Edward R. T. Tiekink

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Abstract

The title compound, C10H13NO3·H2O, is a zwitterion hydrate with the zwitterion comprising a central ammonium group and a carboxylate residue. In the zwitterion, the hydroxybenzene and carboxylate groups are directed to the same side of the molecule and each orientated to place an O atom in a position to form an intramolecular ammonium-N—H...O hydrogen bond, each closing anS(6) loop. The three-dimensional architecture is stabilized by hydroxy-O—H...O(carboxylate), water-O—H...O(carboxylate) and ammonium-N—H...O(water) hydrogen bonds.

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What this paper is about

The title compound, C10H13NO3·H2O, is a zwitterion hydrate with the zwitterion comprising a central ammonium group and a carboxylate residue. In the zwitterion, the hydroxybenzene and carboxylate groups are directed to the same side of the molecule and each orientated to place an O atom in a position to form an intramolecular ammonium-N—H...O hydrogen bond, each closing anS(6) loop. The three-dimensional architecture is stabilized by hydroxy-O—H...O(carboxylate), water-O—H...O(carboxylate) and ammonium-N—H...O(water) hydrogen bonds.

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Available abstract

The title compound, C10H13NO3·H2O, is a zwitterion hydrate with the zwitterion comprising a central ammonium group and a carboxylate residue. In the zwitterion, the hydroxybenzene and carboxylate groups are directed to the same side of the molecule and each orientated to place an O atom in a position to form an intramolecular ammonium-N—H...O hydrogen bond, each closing anS(6) loop. The three-dimensional architecture is stabilized by hydroxy-O—H...O(carboxylate), water-O—H...O(carboxylate) and ammonium-N—H...O(water) hydrogen bonds.

Key concepts: Zwitterion, Carboxylate, Chemistry, Hydrogen bond, Hydrate, Intramolecular force, Ammonium, Crystal structure

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