Literature DB >> 34925898

Crystal structure and Hirshfeld surface analysis of 3-[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]benzo-furan-2(3H)-one.

Zeliha Atioğlu1, Mehmet Akkurt2, Namiq Q Shikhaliyev3, Ulviyya F Askerova3, Sevinc H Mukhtarova3, Rizvan K Askerov3, Ajaya Bhattarai4.   

Abstract

In the title compound, C16H14N2O2, the 2,3-di-hydro-1-benzo-furan ring system is essentially planar and makes a dihedral angle of 3.69 (7)° with the di-methyl-phenyl ring. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond with an S(6) ring motif. In the crystal, mol-ecules are connected by C-H⋯π and π-π stacking inter-actions, forming a layer lying parallel to the (11) plane. One methyl group is disordered over two orientations, with occupancies of 0.67 (4) and 0.33 (4). Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (51.2%), O⋯H/H⋯O (17.9%), C⋯H/H⋯C (15.2%) and C⋯C (8.1%) contacts. © Atioğlu et al. 2021.

Entities:  

Keywords:  C—H⋯π inter­actions; Hirshfeld surface analysis; crystal structure; intra­molecular N—H⋯O inter­actions

Year:  2021        PMID: 34925898      PMCID: PMC8647749          DOI: 10.1107/S2056989021011749

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  7 in total

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