4,11-Dimethyl-2,13-di-m-tolyltribenzo[b,e,g][1,4]dioxocine-7,8-dicarbonitrile
The synthesis and crystal structure of 4,11-dimethyl-2,13-di-m-tolyltribenzo[b,e,g][1,4]dioxocine-7,8-dicarbonitrile are reported. X-ray diffraction analysis reveals a rigid dioxocine core with m-tolyl substituents adopting torsional angles of 25–40°. The crystal packing is stabilized by C-H···N hydrogen bonds (2.6 Å) and π-π stacking interactions (3.4 Å) between dicarbonitrile groups, forming dimeric motifs. These structural insights provide a foundation for designing dioxocine-based functional materials.
Authors
- V. V. Bukhalin
- Kyrill Yu. Suponitsky (ORCID: https://orcid.org/0000-0003-0617-0118)
- Dmitry Erzunov (ORCID: https://orcid.org/0000-0001-9906-5354)
- И. Г. Абрамов (ORCID: https://orcid.org/0000-0002-8204-1660)
- А. С. Вашурин (ORCID: https://orcid.org/0000-0003-2239-8753)
- Vladimir Baklagin
Institutions
- A. N. Nesmeyanov Institute of Organoelement Compounds (RU)
- NS Kurnakova Institute of General and Inorganic Chemistry (RU)
- Yaroslavl State Technical University (RU)
Publication Details
- Journal
- Molbank
- Published
- 2025-09-15
- DOI
- https://doi.org/10.3390/m2059
- Primary Topic
- Crystallography and molecular interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00