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

作者信息

Merino García Rosario, Ríos-Merino Francisco Javier, Bernès Sylvain, Reyes-Ortega Yasmi

机构信息

Centro de Química, Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla, 72570 Puebla, Pue., Mexico.

Instituto de Física, Benemérita Universidad Autónoma de Puebla, Av. San Claudio y 18 Sur, 72570 Puebla, Pue., Mexico.

出版信息

Acta Crystallogr E Crystallogr Commun. 2016 Nov 1;72(Pt 12):1687-1690. doi: 10.1107/S205698901601687X. eCollection 2016 Dec 1.

Abstract

In the title compound, also known as 3,5-lutidine -oxide dihydrate, CHNO·2HO, 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 (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 π-π contacts characterized by a short separation of 3.569 (1) Å between the benzene rings.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9db0/5137588/c5866f73a477/e-72-01687-fig1.jpg

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