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8-Hy-droxy-5,7-dimethyl-quinolin-1-ium hydrogen sulfate.

ABSTRACT: The quinoline ring system of the title salt, C11H12NO(+)·HSO4(-), is essentially planar, with a maximum deviation of 0.054?(2)?Å for all non H atoms. In the crystal, the cations and anions are linked via N-H?O, O-H?O and weak C-H?O hydrogen bonds, and are stacked respectively in columns along the a axis. ?-? stacking inter-actions, with centroid-centroid distances of 3.5473?(12) and 3.6926?(12)?Å, are also observed. The crystal studied was an inversion twin with refined components of 0.43?(7):0.57?(7).

SUBMITTER: Thanigaimani K

PROVIDER: S-EPMC3588270 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other

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8-Hy-droxy-5,7-dimethyl-quinolin-1-ium hydrogen sulfate.

Thanigaimani Kaliyaperumal K Khalib Nuridayanti Che NC Arshad Suhana S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20121208 Pt 1

The quinoline ring system of the title salt, C11H12NO(+)·HSO4(-), is essentially planar, with a maximum deviation of 0.054 (2) Å for all non H atoms. In the crystal, the cations and anions are linked via N-H⋯O, O-H⋯O and weak C-H⋯O hydrogen bonds, and are stacked respectively in columns along the a axis. π-π stacking inter-actions, with centroid-centroid distances of 3.5473 (12) and 3.6926 (12) Å, are also observed. The crystal studied was an inversion twin with refined components of 0.43 (7):0. ...[more]

PMID: 23476427

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