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Benzene-1,3,5-tri-carb-oxy-lic acid-pyridinium-2-olate (1/3).

ABSTRACT: The asymmetric unit of the title compound, C9H6O6·3C5H5NO, contains one benzene-1,3,5-tri-carb-oxy-lic acid mol-ecule (BTA) and three pyridin-2-ol mol-ecules each present in the zwitterion form. In the crystal, these entities are linked through O-H?O(-) and N(+)-H?O(-) hydrogen bonds, forming sheets parallel to (10-1). These layers contain macrocyclic rings of composition [BTA]2[pyol]6 and with graph-set notation R (6) 8(44), which are stacked along c through ?-? inter-actions [inter-centroid distances = 3.536?(2)-3.948?(3)?Å]. They are inter-connected by N(+)-H?O(-) hydrogen-bonded chains of pyridin-2-ol mol-ecules running parallel to c, forming a three-dimensional network. There are also C-H?O hydrogen bonds present which reinforce the three-dimensional structure.

SUBMITTER: Campos-Gaxiola JJ

PROVIDER: S-EPMC3998530 | biostudies-other | 2014 Apr

REPOSITORIES: biostudies-other

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Benzene-1,3,5-tri-carb-oxy-lic acid-pyridinium-2-olate (1/3).

Campos-Gaxiola José J JJ Zamora Falcon Felipe F Corral Higuera Ramón R Höpfl Herbert H Cruz-Enríquez Adriana A

Acta crystallographica. Section E, Structure reports online 20140319 Pt 4

The asymmetric unit of the title compound, C9H6O6·3C5H5NO, contains one benzene-1,3,5-tri-carb-oxy-lic acid mol-ecule (BTA) and three pyridin-2-ol mol-ecules each present in the zwitterion form. In the crystal, these entities are linked through O-H⋯O(-) and N(+)-H⋯O(-) hydrogen bonds, forming sheets parallel to (10-1). These layers contain macrocyclic rings of composition [BTA]2[pyol]6 and with graph-set notation R (6) 8(44), which are stacked along c through π-π inter-actions [inter-centroid di ...[more]

PMID: 24826154

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