2-{[5-(Pyridin-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-yl]methyl}acrylic acid hemihydrate
| Autor: | Renata Paprocka, Bożena Modzelewska-Banachiewicz, Andrzej K. Gzella |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2014 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E, Vol 70, Iss 1, Pp o95-o96 (2014) |
| Druh dokumentu: | article |
| ISSN: | 1600-5368 16005368 54624819 |
| DOI: | 10.1107/S1600536813034077 |
| Popis: | 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. |
| Databáze: | Directory of Open Access Journals |
| Externí odkaz: |
|