Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-[(E)-2-phenylethenyl]pyridazin-3(2H)-one

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Daoui S., Cinar E. B., DEGE N., Chelfi T., El Kalai F., Abudunia A., ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.23-32, 2021 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 77
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1107/s205698902001573x
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.23-32
  • Anahtar Kelimeler: crystal structure, Hirshfeld surface analysis, pyridazine derivative, pyridazinone, PYRIDAZINONE, DERIVATIVES
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The title pyridazinone derivative, C19H14Cl2N2O, an important pharmacophore with a wide variety of biological applications is not planar, the chlorophenyl and pyridazinone rings being almost perpendicular, subtending a dihedral angle of 85.73 (11)degrees. The phenyl ring of the styryl group is coplanar with the pyridazinone ring [1.47 (12)degrees]. In the crystal, N-H center dot center dot center dot O hydrogen bonds form inversion dimers with an R22 (8) ring motif and C-H center dot center dot center dot Cl hydrogen bonds also occur. The roles of the intermolecular interactions 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 center dot center dot center dot H (37.9%), C center dot center dot center dot H/H center dot center dot center dot C (18.7%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (16.4%) and Cl center dot center dot center dot C/C center dot center dot center dot Cl (6.7%) contacts.