Title of article :
Crystal structure of ethyl 3-amino-6-methyl-2-[(4-methylphenyl)carbamoyl]-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridine-5-carboxylate monohydrate
Author/Authors :
Mague, Joel T. Department of Chemistry - Tulane University, USA , Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Mohamed, Shaaban K. Chemistry and Environmental Division - Manchester Metropolitan University, England , Bakhite. Etify A. Chemistry Department - Faculty of Science - Assiut University, Egyp , Albayati, Mustafa R. Kirkuk University - College of Science - Department of Chemistry, Kirkuk, Iraq
Abstract :
In the title molecule, C27H25N3O3S·H2O, the dihedral angle between the planes of the thienyl ring and the pendant p-tolyl group is 39.25 (6)°, while that between the pyridine ring and the pendant phenyl ring is 44.37 (6)°. In addition, there is a slight twist in the bicyclic core, with a dihedral angle of 2.39 (4)° between the thienyl and pyridine rings. The conformation of the carbamoyl moiety is partially determined by an intramolecular N—H⋯O hydrogen bond. In the crystal, complementary N—H⋯O hydrogen bonds form dimers which are then associated into chains parallel to the c axis through O—H⋯N hydrogen bonds involving the water molecule of crystallization. Electron density associated with an additional solvent molecule of partial occupancy and disordered about a twofold axis was removed with the SQUEEZE procedure in PLATON [Spek (2015[Spek, A. L. (2015). Acta Cryst. C71, 9-18.]). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).
Keywords :
PLATON SQUEEZE , pyridine ring , crystal structure , thienyl ring
Journal title :
Acta Crystallographica Section E: Crystallographic Communications