Literature DB >> 33520277

Crystal structure and Hirshfeld surface analysis of 4-(2,6-di-chloro-benz-yl)-6-[(E)-2-phenyl-ethen-yl]pyridazin-3(2H)-one.

Said Daoui1, Emine Berrin Cinar2, Necmi Dege2, Tarik Chelfi1, Fouad El Kalai1, Abdulmalik Abudunia3, Khalid Karrouchi4, Noureddine Benchat1.   

Abstract

The title pyridazinone derivative, C19H14Cl2N2O, an important pharmacophore with a wide variety of biological applications is not planar, the chloro-phenyl and pyridazinone rings being almost perpendicular, subtending a dihedral angle of 85.73 (11)°. The phenyl ring of the styryl group is coplanar with the pyridazinone ring [1.47 (12)°]. In the crystal, N-H⋯O hydrogen bonds form inversion dimers with an R 2 2(8) ring motif and C-H⋯Cl hydrogen bonds also occur. The roles of the inter-molecular inter-actions in the crystal packing were clarified using Hirshfeld surface analysis, and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (37.9%), C⋯H/H⋯C (18.7%), Cl⋯H/ H⋯Cl (16.4%) and Cl⋯C/C⋯Cl (6.7%) contacts. © Daoui et al. 2021.

Entities:  

Keywords:  Hirshfeld surface analysis; crystal structure; pyridazine derivative; pyridazinone

Year:  2021        PMID: 33520277      PMCID: PMC7784059          DOI: 10.1107/S205698902001573X

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  3 in total

1.  Crystal structure of (E)-3-({6-[2-(4-chloro-phen-yl)ethen-yl]-3-oxo-2,3-di-hydro-pyridazin-4-yl}meth-yl)pyridin-1-ium chloride dihydrate.

Authors:  Said Daoui; Emine Berrin Çınar; Necmi Dege; Noureddine Benchat; Eiad Saif; Khalid Karrouchi
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-03-31

2.  Crystal structure and Hirshfeld surface analysis of 2-oxo-2-phenyl-ethyl 3-nitroso-2-phenyl-imidazo[1,2-a]pyridine-8-carboxyl-ate.

Authors:  Fouad El Kalai; Cemile Baydere; Necmi Dege; Abdulmalik Abudunia; Noureddine Benchat; Khalid Karrouchi
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-02-15

3.  X-ray structure, hirshfeld surfaces and interaction energy studies of 2,2-diphenyl-1-oxa-3-oxonia-2-boratanaphthalene.

Authors:  N R Sreenatha; D P Ganesha; A S Jeevan Chakravarthy; B Suchithra; B N Lakshminarayana
Journal:  Heliyon       Date:  2022-08-17
  3 in total

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