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Crystal structure of 3,5-di-methyl-pyridine N-oxide dihydrate.

ABSTRACT: In the title compound, also known as 3,5-lutidine N-oxide dihydrate, C7H9NO·2H2O, the N-O bond is weakened due to the involvement of the O atom as an acceptor of hydrogen bonds from the two water mol-ecules of crystallization present in the asymmetric unit. Fused R35(10) ring motifs based on O-H?O hydrogen bonds form chains in the [010] direction, which are further connected by weak C-H?O inter-molecular contacts. As a result, the lutidine mol-ecules are stacked in an efficient manner, with ?-? contacts characterized by a short separation of 3.569?(1)?Å between the benzene rings.

SUBMITTER: Merino Garcia R 

PROVIDER: S-EPMC5137588 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 3,5-di-methyl-pyridine <i>N</i>-oxide dihydrate.

Merino García Rosario R   Ríos-Merino Francisco Javier FJ   Bernès Sylvain S   Reyes-Ortega Yasmi Y  

Acta crystallographica. Section E, Crystallographic communications 20161101 Pt 12

In the title compound, also known as 3,5-lutidine <i>N</i>-oxide dihydrate, C<sub>7</sub>H<sub>9</sub>NO·2H<sub>2</sub>O, the N-O bond is weakened due to the involvement of the O atom as an acceptor of hydrogen bonds from the two water mol-ecules of crystallization present in the asymmetric unit. Fused <i>R</i><sup>3</sup><sub>5</sub>(10) ring motifs based on O-H⋯O hydrogen bonds form chains in the [010] direction, which are further connected by weak C-H⋯O inter-molecular contacts. As a result,  ...[more]

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