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

Daoui, Said; Muwafaq, Israa; Cinar, Emine; Abudunia, Abdulmalik; DEGE, Necmi; Benchat, Noureddine; Karrouchi, Khalid

doi:10.1107/s205698902101238x

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

Atıf İçin Kopyala

Daoui S., Muwafaq I., Cinar E. B., Abudunia A., DEGE N., Benchat N., ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.78, ss.8-16, 2022 (ESCI)

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
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.