Publication:
Crystal Structure and Hirshfeld Surface Analysis of 1-(4-Chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1H-Pyrazole

dc.contributor.authorAydin A., Akkurt M., Turanli S., Banoglu E., Ozcelik N.
dc.date.accessioned2023-05-09T19:37:55Z
dc.date.available2023-05-09T19:37:55Z
dc.date.issued2021-01-01
dc.description.abstractThe aim of the study is to explore the crystal structure and performe Hirshfeld surface analysis of l-(4-chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1H-pyrazole. In the title compound, C23H19C1N2O, the 4-chlorophenyl, 2-methylphenyl and benzene rings are oriented with dihedral angles of 71.22(10), 31.82(9) and 59.76(9)°, respectively, with respect to the pyrazole ring. Pairs of molecules are linked by intermolecular C-H⋯O hydrogen contacts with R22(8) ring motifs forming sheets lying parallel to (100). Furthermore C-H⋯π interactions also contribute to stabilizing the molecular packing. A Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions which indicate that the most important contributions for the crystal packing are from H⋯H (42.5%) and H⋯C/C⋯H (35%) and H⋯Cl/Cl⋯H (12%) interactions.
dc.identifier.doi10.2116/xraystruct.37.77
dc.identifier.scopus2-s2.0-85120998721
dc.identifier.urihttps://hdl.handle.net/20.500.12597/14223
dc.relation.ispartofX-ray Structure Analysis Online
dc.rightstrue
dc.titleCrystal Structure and Hirshfeld Surface Analysis of 1-(4-Chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1H-Pyrazole
dc.typeArticle
dspace.entity.typePublication
oaire.citation.volume37
relation.isScopusOfPublication234b13c8-68c5-446f-a051-67b99105a87b
relation.isScopusOfPublication.latestForDiscovery234b13c8-68c5-446f-a051-67b99105a87b

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