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3-Hy-droxy-2-(hy-droxy-meth-yl)pyridinium chloride.

ABSTRACT: The cation of the title compound, C(6)H(8)NO(2) (+)·Cl(-), is essentially planar (r.m.s. deviation = 0.0104?Å). Intermolecular O-H?Cl and N-H?Cl hydrogen bonds, as well as C-H?O contacts, connect the mol-ecules in the crystal structure. A short C?C distance of only 3.3930?(19)?Å between C atoms of neighbouring rings is indicative of ?-stacking. The corresponding centroid-centroid distance between the two aromatic systems is 4.2370?(7)?Å due to the small overlap of the adjacent rings.

SUBMITTER: Betz R

PROVIDER: S-EPMC3200843 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

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3-Hy-droxy-2-(hy-droxy-meth-yl)pyridinium chloride.

Betz Richard R Gerber Thomas T Hosten Eric E

Acta crystallographica. Section E, Structure reports online 20110817 Pt 9

The cation of the title compound, C(6)H(8)NO(2) (+)·Cl(-), is essentially planar (r.m.s. deviation = 0.0104 Å). Intermolecular O-H⋯Cl and N-H⋯Cl hydrogen bonds, as well as C-H⋯O contacts, connect the mol-ecules in the crystal structure. A short C⋯C distance of only 3.3930 (19) Å between C atoms of neighbouring rings is indicative of π-stacking. The corresponding centroid-centroid distance between the two aromatic systems is 4.2370 (7) Å due to the small overlap of the adjacent rings. ...[more]

PMID: 22065694

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