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5-Amino-6-methyl-quinolin-1-ium 3-carb-oxy-propano-ate.

ABSTRACT: The asymmetric unit of the title salt, C10H11N2 (+)·C4H5O4 (-), consists of two independent 5-amino-6-methyl-quinolin-1-ium cations and two 3-carb-oxy-propano-ate anions. Both cations are protonated at the pyridine N atoms and are essentially planar, with maximum deviations of 0.026?(3) and 0.016?(2)?Å. In the crystal, the cations and anions are linked via N-H?O and O-H?O hydrogen bonds, forming a layer parallel to the ab plane. In the layer, weak C-H?O hydrogen bonds and ?-? stacking inter-actions, with centroid-to-centroid distances of 3.7283?(15) and 3.8467?(15)?Å, are observed. The crystal structure also features weak C-H?O hydrogen bonds between the layers.

SUBMITTER: Thanigaimani K

PROVIDER: S-EPMC3629592 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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5-Amino-6-methyl-quinolin-1-ium 3-carb-oxy-propano-ate.

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

Acta crystallographica. Section E, Structure reports online 20130316 Pt 4

The asymmetric unit of the title salt, C10H11N2 (+)·C4H5O4 (-), consists of two independent 5-amino-6-methyl-quinolin-1-ium cations and two 3-carb-oxy-propano-ate anions. Both cations are protonated at the pyridine N atoms and are essentially planar, with maximum deviations of 0.026 (3) and 0.016 (2) Å. In the crystal, the cations and anions are linked via N-H⋯O and O-H⋯O hydrogen bonds, forming a layer parallel to the ab plane. In the layer, weak C-H⋯O hydrogen bonds and π-π stacking inter-acti ...[more]

PMID: 23634079

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