Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one

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Daoui S., Cinar E. B., El Kalai F., Saddik R., Karrouchi K., Benchat N., ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.75, ss.1352-1361, 2019 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 75
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1107/s2056989019011551
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1352-1361
  • Anahtar Kelimeler: crystal structure, Hirshfeld surface analysis, pyridazine, pyridazine derivative, pyridazinone, PYRIDAZINONE DERIVATIVES, INTERMOLECULAR INTERACTIONS, QUANTITATIVE-ANALYSIS, DESIGN, ANTICONVULSANT
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

In this paper, we describe the synthesis of a new dihydro-2H-pyridazin-3-one derivative. The molecule, C18H16N2O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral angle of 11.47 (2)degrees, and the toluene ring is nearly perpendicular to the pyridazine ring, with a dihedral angle of 89.624 (1)degrees. The molecular conformation is stabilized by weak intramolecular C-H center dot center dot center dot N contacts. In the crystal, pairs of N-H center dot center dot center dot O hydrogen bonds link the molecules into inversion dimers with an R-2(2) (8) ring motif. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots, revealing that the most important contributions for the crystal packing are from CH center dot center dot center dot H (56.6%), H center dot center dot center dot C/C H (22.6%), O center dot center dot center dot H/H center dot center dot center dot O (10.0%) and N center dot center dot center dot C/C center dot center dot center dot N (3.5%) interactions.