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2-{[5-(Pyridin-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-yl]methyl}acrylic acid hemihydrate
- Source :
- Acta Crystallographica Section E: Structure Reports, Acta Crystallographica Section E, Vol 70, Iss 1, Pp o95-o96 (2014)
- Publication Year :
- 2013
- Publisher :
- International Union of Crystallography, 2013.
-
Abstract
- The asymmetric unit of the title compound, 2C18H16N4O2·H2O, consists of two organic molecules and one solvent molecule. The symmetry-independent organic molecules have slightly different conformations: the 1,2,4-triazole ring forms dihedral angles of 84.61 (4), 89.68 (5) and 22.38 (6)°, respectively, with the 2-propenecarbocylic, p-tolyl and 4-pyridyl groups in one independent molecule, and 71.35 (4), 82.13 (5) and 24.82 (6)°, respectively, in the second. In the crystal, molecules ralated by the 21 screw axes are assembled via O—H...N and O—H...O hydrogen bonds into infinite chains and these are linked by further O—H...N hydrogen bonds into undulating sheets parallel to the bc plane. Adjacent sheets are connected by weak C—H...O interactions, forming a three-dimensional structure.
Details
- Language :
- English
- ISSN :
- 16005368
- Volume :
- 70
- Issue :
- Pt 1
- Database :
- OpenAIRE
- Journal :
- Acta Crystallographica Section E: Structure Reports Online
- Accession number :
- edsair.doi.dedup.....4f574a81f44f292d0e5dfe1a8e331b3d