Hirshfeld surface analysis and crystal structure of 7-methoxy-5-methyl-2-phenyl-11,12-dihydro-5,11-methano-1,2,4-triazolo[1,5-c][1,3,5]benzoxadiazocine

Gumus, Mustafa; KANSIZ, SEVGİ; Dege, Necmi; Kalibabchuk, Valentina

doi:10.1107/s2056989018010848

Hirshfeld surface analysis and crystal structure of 7-methoxy-5-methyl-2-phenyl-11,12-dihydro-5,11-methano-1,2,4-triazolo[1,5-c][1,3,5]benzoxadiazocine

Gumus M. K., KANSIZ S., Dege N., Kalibabchuk V. A.

Acta Crystallographica Section E: Crystallographic Communications, cilt.74, ss.1211-1214, 2018 (Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 74
Basım Tarihi: 2018
Doi Numarası: 10.1107/s2056989018010848
Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
Derginin Tarandığı İndeksler: Scopus
Sayfa Sayıları: ss.1211-1214
Anahtar Kelimeler: benzoxadiazocine, Biginelli condensation, crystal structure, Hirshfeld surface
Samsun Üniversitesi Adresli: Hayır

Özet

The title compound, C19 H18 N4 O2, crystallizes with two independent molecules in the asymmetric unit. The triazole ring is inclined to the benzene rings by 9.63 (13) and 87.37 (12)° in one molecule, and by 4.46 (13) and 86.15 (11)° in the other. In the crystal, classical N-H..N hydrogen bonds, weak C-H..O hydrogen bonds and weak C-H..π interactions link the molecules into a three-dimensional supramolecular network. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H..H (51.4%), H..C/C..H (26.7%), H..O/O..H (8.9%) and H..N/N..H (8%) interactions.