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8-Hy-droxy-5,7-dimethyl-quinolin-1-ium chloride dihydrate.

ABSTRACT: In the title hydrated salt, C11H12NO(+)·Cl(-)·2H2O, the quinoline ring system is essentially planar, with a maximum deviation of 0.005?(1)?Å for all non-H atoms. In the crystal, the three components are linked by O-H?O, N-H?O, O-H?Cl and weak C-H?O hydrogen bonds, forming a layer structure parallel to the ac plane. The crystal structure is further stabilized by ?-? stacking inter-actions, with centroid-centroid distances of 3.5213?(6) and 3.7176?(6)?Å.

SUBMITTER: Thanigaimani K

PROVIDER: S-EPMC3588230 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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8-Hy-droxy-5,7-dimethyl-quinolin-1-ium chloride dihydrate.

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

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

In the title hydrated salt, C11H12NO(+)·Cl(-)·2H2O, the quinoline ring system is essentially planar, with a maximum deviation of 0.005 (1) Å for all non-H atoms. In the crystal, the three components are linked by O-H⋯O, N-H⋯O, O-H⋯Cl and weak C-H⋯O hydrogen bonds, forming a layer structure parallel to the ac plane. The crystal structure is further stabilized by π-π stacking inter-actions, with centroid-centroid distances of 3.5213 (6) and 3.7176 (6) Å. ...[more]

PMID: 23476428

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