Literature DB >> 33936755

Crystal structure and Hirshfeld surface analysis of 4-(4-chloro-phen-yl)-5-methyl-3-{4-[(2-methyl-phen-yl)meth-oxy]phen-yl}-1,2-oxazole.

Abdullah Aydin1, Mehmet Akkurt2, Sumeyye Turanli3, Deniz Lengerli3, Erden Banoglu3, Nefise Dilek Ozcelik4.   

Abstract

In the title compound, C24H20ClNO2, the mean planes of 4-chloro-phenyl, 2-methyl-phenyl and phenyl-ene rings make dihedral angles of 62.8 (2), 65.1 (3) and 15.1 (2)°, respectively, with the 5-methyl-1,2-oxazole ring. In the crystal, mol-ecules are linked by inter-molecular C-H⋯N, C-H⋯Cl, C-H⋯π contacts and π-π stacking inter-actions between the phenyl-ene groups. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (48.7%), H⋯C/C⋯H (22.2%), Cl⋯H/H⋯Cl (8.8%), H⋯O/O⋯H (8.2%) and H⋯N/N⋯H (5.1%) inter-actions. © Aydin et al. 2021.

Entities:  

Keywords:  C—H⋯π inter­actions; Hirshfeld surface analysis; crystal structure; vicinal diaryl isoxazole

Year:  2021        PMID: 33936755      PMCID: PMC8025860          DOI: 10.1107/S2056989021002383

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  16 in total

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Authors:  Mahesh A Barmade; Prashant R Murumkar; Mayank Kumar Sharma; Mange Ram Yadav
Journal:  Curr Top Med Chem       Date:  2016       Impact factor: 3.295

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7.  Pyrazole derivatives as inhibitors of arachidonic acid-induced platelet aggregation.

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Journal:  Eur J Med Chem       Date:  2013-04-06       Impact factor: 6.514

8.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

9.  N-(2,4-Difluoro-phen-yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate.

Authors:  Jian-Guang Yu; Hai-Xi Zhu; Jiang-Kai Qiu; De-Cai Wang; Hong Xu
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-07-04

10.  Quantitative analysis of intermolecular interactions in orthorhombic rubrene.

Authors:  Venkatesha R Hathwar; Mattia Sist; Mads R V Jørgensen; Aref H Mamakhel; Xiaoping Wang; Christina M Hoffmann; Kunihisa Sugimoto; Jacob Overgaard; Bo Brummerstedt Iversen
Journal:  IUCrJ       Date:  2015-08-14       Impact factor: 4.769

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