Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine

---

Atıf İçin Kopyala

Cinar E. B., Yesilbag S., Doğan O. E., Ağar E., DEGE N., Saif E.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.76, ss.1472-1479, 2020 (ESCI)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 76
• Basım Tarihi: 2020
• Doi Numarası: 10.1107/s2056989020010646
• Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
• Sayfa Sayıları: ss.1472-1479
• Anahtar Kelimeler: crystal structure, Hirshfeld surface, DFT, oxazines
• Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

Molecules of the title compound, C16H16N2O2, occupy special positions on the twofold rotation axes. The heterocyclic ring adopts a slightly twisted envelope conformation with one of the two junction carbon atoms as the flap. The mean planes through the two halves of the molecule form a dihedral angle of 72.01 (2)degrees. In the crystal, molecules are linked by pairs of C-H center dot center dot center dot O and N-H center dot center dot center dot C contacts into layers parallel to (100). H center dot center dot center dot H contacts make the largestcontribution to the Hirshfeld surface (58.9%).