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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) February 2, 2018

Hydrogen bonding in hydroxypyridium salts

  • Andrei V. Mironov EMAIL logo , Victor A. Tafeenko , Dmitrii Yu. Grebenkin and Alexander E. Oblezov

Abstract

The crystal structures of 6-methyl-2-ethyl-3-hydroxypyridiniun nitrate (C8H12NO)NO3 (I) and fumarate (C8H12NO)2C4H2O4 (II) were solved and refined from X-ray single crystal diffraction data (CuKα, (I) a=4.6477(2), b=14.5906(9), c=14.5551(8) Å, β=99.100(4)°, space group P21/c, Z=4, Rp/Rwp=0.033/0.047; (II) a=8.8293(3), b=13.4268(5), c=8.3893(3) Å, β=96.303(3)°, space group P21/c, Z=2, Rp/Rwp= 0.034/0.049). Both structures are built of infinite chains along ac diagonal of the unit cells formed by hydrogen bonding between the hydroxypyridium cation and the corresponding anion. Each fumarate anion is linked to four hydroxypyridium cations while nitrate anion is connected with two hydroxypyridium cations only leaving one oxygen atom in the nitrogen group isolated.

Acknowledgment

This study was fulfilled using a STOE STADI VARI PILATUS-100K diffractometer purchased by the MSU Development Program. We are thankful to Dr. K. Lyssenko for presented data and fruitful discussion.

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Supplemental Material:

The online version of this article offers supplementary material (https://doi.org/10.1515/zkri-2017-2136).


Received: 2017-11-24
Accepted: 2017-12-28
Published Online: 2018-2-2
Published in Print: 2018-7-26

©2018 Walter de Gruyter GmbH, Berlin/Boston

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