Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-di-hydropyridazin- 1-yl]acetate

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El Kalai F., Baydere C., Daoui S., Saddik R., DEGE N., Karrouchi K., ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.75, ss.892-900, 2019 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 75
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1107/s2056989019007424
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.892-900
  • Anahtar Kelimeler: crystal structure, pyridazine, Hirsh-feld surface analysis, PYRIDAZINONE DERIVATIVES, DESIGN, ANTICONVULSANT
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The title pyridazinone derivative, C21H19ClN2O3, is not planar. The unsubstituted phenyl ring and the pyridazine ring are inclined to each other, making a dihedral angle of 17.41 (13)degrees whereas the Cl-substituted phenyl ring is nearly orthogonal to the pyridazine ring [88.19 (13)degrees]. In the crystal, C-H center dot center dot center dot O hydrogen bonds generate dimers with R-2(2)(10) and R-2(2)(24) ring motifs which are linked by C-H center dot center dot center dot O interactions, forming chains extending parallel to the c-axis direction. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most significant contributions to the crystal packing are from H center dot center dot center dot H (44.5%), C center dot center dot center dot H/H center dot center dot center dot C (18.5%), H center dot center dot center dot O/H center dot center dot center dot O (15.6%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (10.6%) and C center dot center dot center dot C (2.8%) contacts.