Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1 H -pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly

Two new chalcones containing both pyrazole and thiophene substituents have been prepared and structurally characterized. 3-(3-Methyl-5-phenoxy-1-phenyl-1 H -pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one, C 23 H 18 N 2 O 2 S (I), and 3-[3-methyl-5-(2-methylphenoxy)-1-phenyl-1 H -pyrazol-4-yl]-1-(thi...

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Published inActa crystallographica. Section E, Crystallographic communications Vol. 76; no. 1; pp. 48 - 52
Main Authors Shaibah, Mohammed A. E., Yathirajan, Hemmige S., Manju, Nagaraj, Kalluraya, Balakrishna, Rathore, Ravindranath S., Glidewell, Christopher
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.01.2020
Subjects
crystal structure
disorder
heterocyclic compounds
hydrogen bonding
molecular conformation
pyrazoles
supramolecular assembly
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Summary:Two new chalcones containing both pyrazole and thiophene substituents have been prepared and structurally characterized. 3-(3-Methyl-5-phenoxy-1-phenyl-1 H -pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one, C 23 H 18 N 2 O 2 S (I), and 3-[3-methyl-5-(2-methylphenoxy)-1-phenyl-1 H -pyrazol-4-yl]-1-(thiophen-2-yl)prop-2-en-1-one, C 24 H 20 N 2 O 2 S (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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S205698901901658X