5,6,7,8-Tetra-hydro-[1,2,4]triazolo[5,1- b]quinazolin-9(4 H)-one

Walid Ettahiri; Amal Dalbouha; Abdesselam Baouid; Abdulsalam Alsubari; Joel T Mague; Mustapha Taleb; Youssef Ramli

doi:10.1107/S2414314623004091

5,6,7,8-Tetra-hydro-[1,2,4]triazolo[5,1- b]quinazolin-9(4 H)-one

IUCrdata. 2023 May 12;8(Pt 5):x230409. doi: 10.1107/S2414314623004091. eCollection 2023 May.

Authors

Walid Ettahiri^{1

2}, Amal Dalbouha¹, Abdesselam Baouid², Abdulsalam Alsubari³, Joel T Mague⁴, Mustapha Taleb¹, Youssef Ramli^{5

6}

Affiliations

¹ Laboratory of Engineering, Electrochemistry, Modeling and Environment, Faculty of Sciences, Sidi Mohamed Ben Abdellah University, Fez, Morocco.
² Laboratory of Molecular Chemistry, Faculty of Sciences Semlalia, Cadi Ayyad University, Marrakech, Morocco.
³ Laboratory of Medicinal Chemistry, Faculty of Clinical Pharmacy, 21 September University, Yemen.
⁴ Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
⁵ Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Morocco.
⁶ Mohammed VI Center for Research and Innovation (CM6), Rabat 10000, Morocco.

Abstract

The triazole ring in the title mol-ecule, C₉H₁₀N₄O, is not quite coplanar with the six-membered ring to which it is fused, the dihedral angle between the two least-squares planes being 2.52 (6)°. In the crystal, a layered structure is formed by N-H⋯N and C-H⋯O hydrogen bonds plus slipped π-stacking inter-actions, with the fused cyclo-hexene rings projecting to either side.

Keywords: crystal structure; hydrogen bonding; tetrahydroquinazoline; triazole; π-stacking.