Title of article :
Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly
Author/Authors :
Shaibah, Mohammed A. E. Department of Studies in Chemistry - University of Mysore, India , Yathirajan, Hemmige S. Department of Studies in Chemistry - University of Mysore, India , Manju, Nagaraj Department of Studies in Chemistry - Mangalore University, India , Kalluraya, Balakrishna Department of Studies in Chemistry - Mangalore University, India , Rathore, Ravindranath S. Department of Bioinformatics, School of Earth - Biological and Environmental Sciences - Central University of South Bihar, India , Glidewell, Christopher School of Chemistry - University of St Andrews, UK
Abstract :
Two new chalcones containing both pyrazole and thiophene substituents have been prepared and structurally characterized. 3-(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one, C23H18N2O2S (I), and 3-[3-methyl-5-(2-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]-1-(thiophen-2-yl)prop-2-en-1-one, C24H20N2O2S (II), are isomorphous as well as isostructural, and in each the thiophene substituent is disordered over two sets of atomic sites having occupancies 0.844 (3) and 0.156 (3) in (I), and 0.883 (2) and 0.117 (2) in (II). In each structure, the molecules are linked into sheets by a combination of C—H⋯N and C—H⋯O hydrogen bonds. Comparisons are made with some related compounds.
Keywords :
heterocyclic compounds , pyrazoles , crystal structure , disorder , molecular conformation , hydrogen bonding , supramolecular assembly
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
