Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 10 (October 2008)

organic compounds

 

2-[4-Phenyl-5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]nicotinic acid: a case of solvent-dependent polymorphism

L. Mazur, A. E. Koziol and B. Modzelewska-Banachiewicz

Abstract: The title compound, C₁₉H₁₃N₅O₂, crystallizes in two monoclinic forms depending on the solvent used. From methanol or acetone, a yellow form [(Ia), m.p. 533 K] in the space group P2₁ is obtained, while with ethanol as the solvent, an orange form [(Ib), m.p. 541 K] in the space group Cc results. The conformers observed in the two polymorphs differ primarily in the relative orientation of pyridine/phenyl and triazole rings. Molecules of both polymorphs form chains through carboxyl O-HN hydrogen bonding; however, in each crystal structure, a different group acts as acceptor, viz. a triazole and a pyridyl N atom for (Ia) and (Ib), respectively. This is the first case of polymorphism observed for crystals of a 3,4,5-trisubstituted 1,2,4-triazole derivative.

Formula: C₁₉H₁₃N₅O₂ and C₁₉H₁₃N₅O₂

	Structure factor file (CIF format) (171.9 kbytes) [ doi:10.1107/S0108270108029806/sq3157Iasup2.hkl ] Contains datablock Ia
	Structure factor file (CIF format) (171.9 kbytes) [ doi:10.1107/S0108270108029806/sq3157Ibsup3.hkl ] Contains datablock Ib

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Copyright © International Union of Crystallography
IUCr Webmaster