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Updated: May 9, 2026

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
Published on: April 24, 2018
Synthesis, crystal structure and Hirshfeld surface analysis of phenyl-methanaminium 2-oxo-2H-chromene-3-carboxyl-ate
M Sunithakumari1, M U Gagan2, V Dwarakanath2
1Department of Physics Yuvaraja's College University of Mysore,Mysore 570005 Karnataka India.
Abstract:
The title salt, C7H10N+·C10H4O-, formed between 2-oxo-2H-chromene-3-carb-oxy-lic acid and benzyl-amine crystallizes in the triclinic space group P1. Proton transfer from 2-oxo-2H-chromene-3-carb-oxy-lic acid to the NH2 group of benzyl-amine results in a N-H⋯(O,O) hydrogen bond between cation and the carboxylate group of the anion. The 2-oxo-2H-chromene moiety is almost planar with a dihedral angle between the two fused rings of 1.48 (11)°. The dihedral angle between the rings of the anion and cation is 29.49 (10)°. In the crystal, N-H⋯O hydrogen-bonding inter-actions generate an R 4 4(12) synthon parallel to the ac plane. The mol-ecules are linked by further C-H⋯π inter-actions, which consolidate the packing. In addition, π-π stacking inter-actions are observed with centroid-to-centroid distances of 3.5832 (14) and 3.8167 (15) Å. The two-dimensional fingerprint plots indicates that the most important contributions to the crystal packing are from H⋯H (39.7%), H⋯O/O⋯H (30.6%) and H⋯C/C⋯H (20.9%) contacts. The anti-bacterial activity, with MIC values of 30 µg ml-1 against S. aureus and 25 µg ml-1 against E. coli. The lower MIC against E. coli suggests that the compound is more effective against Gram-negative bacteria than Gram-positive bacteria.
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