Work

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

Year: 2021

Type: article

Abstract: The aim of the study is to explore the crystal structure and performe Hirshfeld surface analysis of 1-(4-chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1H-pyrazole.In the title compound, C23H19ClN2O, 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 R 2 2(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.

Source: X-ray Structure Analysis Online

DOI: 10.2116/xraystruct.37.77

Authors: Abdullah AYDIN, Mehmet AKKURT, Sumeyye TURANLI, Erden BANOGLU, Nefise OZCELIK

Institutions: Kastamonu University, Erciyes University, Gazi University, Aksaray University

Language: English

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: diamond

Funders: Türkiye Bilimsel ve Teknolojik Araştırma Kurumu, Aksaray Üniversitesi

Award: G4338799652