Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure
Author
dc.contributor.author
Atria Salas, Ana María
Author
dc.contributor.author
Garland, María Teresa
Author
dc.contributor.author
Baggio, Ricardo
Admission date
dc.date.accessioned
2016-04-24T22:25:56Z
Available date
dc.date.available
2016-04-24T22:25:56Z
Publication date
dc.date.issued
2014
Cita de ítem
dc.identifier.citation
Acta Cryst. (2014). E70, 385–388
en_US
Identifier
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1600-5368
Identifier
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https://repositorio.uchile.cl/handle/2250/137933
Abstract
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The asymmetric unit of the title compound, C8H9NO2 H2O consists of an
isolated 4-(ammoniomethyl)benzoate zwitterion derived from 4-aminomethylbenzoic
acid through the migration of the acidic proton, together with a water
molecule of crystallization that is disordered over three sites with occupancy
ratios (0.50:0.35:0.15). In the crystal structure, N—H O hydrogen bonds
together with – stacking of the benzene rings [centroid–centroid distance =
3.8602 (18) A ˚ ] result in a strongly linked, compact three-dimensional structure.