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Updated: Jun 1, 2026

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
Published on: April 24, 2018
5-Methyl-3-[1-(2-pyridylmeth-yl)-1H-benzimidazol-2-ylmeth-yl]isoxazole
Abstract:
The title compound, C(18)H(16)N(4)O, is built up from fused six- and five-membered rings linked to a five-membered isoxazole ring and to a six-membered pyridine ring through a CH(2) group. The fused-ring system is essentially planar, with a maximum deviation of 0.019 (1) Å. It forms inter-planar angles of 70.03 (7)° with the isoxazole ring and 81.68 (7)° with the pyridine ring; the two latter rings are also planar, the maximum deviations from the mean planes being 0.0028 (15) and 0.0047 (12) Å, respectively. In the crystal, weak inter-molecular non-classical C-H⋯N hydrogen bonds link the mol-ecules, forming a zigzag-like chain parallel to the b axis. A weak intra-molecular C-H⋯N hydrogen bond may help to define the conformation of the mol-ecule.
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