Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydro-quinoxalin-1-yl)acetate

Mustaphi N. E. H., Aboutofil F. E., El Houssni L., SAIF E. A. M., Mague J. T., Chkirate K., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.80, sa.Pt 4, ss.430-434, 2024 (ESCI, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 80 Sayı: Pt 4
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1107/s2056989024002664
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.430-434
  • Anahtar Kelimeler: crystal structure, C—H (ring) interaction, hydrogen bond, quinoxaline, stacking
  • Samsun Üniversitesi Adresli: Hayır

Özet

The quinoxaline moiety in the title molecule, C13H13ClN2O3, is almost planar (r.m.s. deviation of the fitted atoms = 0.033 A ). In the crystal, C—H O hydrogen bonds plus slipped -stacking and C—H (ring) interactions generate chains of molecules extending along the b-axis direction. The chains are connected by additional C—H O hydrogen bonds. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H H (37.6%), H O/O H (22.7%) and H Cl/Cl H (13.1%) interactions.