Synthesis, crystal structures and Hirshfeld surface analysis of 1,4-dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione

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Cinar E. B., Zouitini A., Rodi Y. K., Ouzidan Y., Marrot J., Prim D., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.76, pp.1361-1370, 2020 (ESCI)

• Publication Type: Article / Article
• Volume: 76
• Publication Date: 2020
• Doi Number: 10.1107/s2056989020009895
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.1361-1370
• Keywords: crystal structure, Hirshfeld surfaces, quinoxaline, hydrogen bonding, QUINOXALINE DERIVATIVES
• Ondokuz Mayıs University Affiliated: Yes

Abstract

The title quinoxaline molecule, C23H20N2O2, is not planar, the dihedral angle angle between the mean planes of the benzene rings being 72.54 (15)degrees. In the crystal, molecules are connected into chains extending parallel to (10 (1) over bar) by weak C-H center dot center dot center dot O hydrogen bonds. Weak C-H center dot center dot center dot pi interactions link the chains, forming a three-dimensional network structure. Hirshfeld surface analysis revealed that the most important contributions for the crystal packing are from H center dot center dot center dot H (48.7%), H center dot center dot center dot C/C center dot center dot center dot H (32.0%), H center dot center dot center dot O/O center dot center dot center dot H (15.4%), C center dot center dot center dot C (1.9%), H center dot center dot center dot N/N center dot center dot center dot H (1.1%) contacts.