Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy]pnen-yl}ethenyl)-4,5-dihyciropyrudazin-3(2H)-one
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.78, ss.8-16, 2022 (ESCI, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 78
- Basım Tarihi: 2022
- Doi Numarası: 10.1107/s205698902101238x
- Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
- Sayfa Sayıları: ss.8-16
- Anahtar Kelimeler: crystal structure, dihydropyridazin, Hirshfeld surface, hydrogen bonding
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- Ondokuz Mayıs Üniversitesi Adresli: Evet
Özet
The pyridazine ring in the title compound, C20H17ClN2O3, adopts a screw-boat conformation. The whole molecule is flattened, the dihedral angles subtended by the least-squares plane of the central aromatic ring with those of the terminal benzene and pyridazine rings being 15.18 (19) and 11.23 (19)degrees, respectively. In the crystal, the molecules are linked by pairs of N-H center dot center dot center dot O bonds into centrosymmetric dimers and by C-H center dot center dot center dot pi contacts into columns. The results of the Hirshfeld surface analysis show that the most prominent interactions are H center dot center dot center dot H, accounting for 36.5% of overall crystal packing, and H center dot center dot center dot O/O center dot center dot center dot H (18.6% contribution) contacts.