Hydrogen bonding in hydroxypyridium salts

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. © 2018 Walter de Gruyter GmbH, Berlin/Boston 2018.

Authors
Mironov A.V.1 , Tafeenko V.A.1 , Grebenkin D.Y. 2 , Oblezov A.E.3
Publisher
Walter de Gruyter GmbH
Number of issue
7
Language
English
Pages
501-506
Status
Published
Volume
233
Year
2018
Organizations
  • 1 Department of Chemistry, Moscow State University, Moscow, 119992, Russian Federation
  • 2 Institute of Biochemical Technology and Nanotechnology, Peoples' Friendship University of Russia, 10-2, Miklukho-Maklaya St., Moscow, 117198, Russian Federation
  • 3 Woerwag Pharma LLC, Nab. Ak. Tupoleva 15-22, Moscow, 105005, Russian Federation
Keywords
cocrystal; hydrogen bonding; hydroxylpyridinium salt; non-covalent interaction
Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/6508/
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