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

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

Walid Ettahiri  1   2 , Amal Dalbouha  1 , Abdesselam Baouid  2 , Abdulsalam Alsubari  3 , Joel T Mague  4 , Mustapha Taleb  1 , Youssef Ramli  5   6
Affiliations

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

Walid Ettahiri et al. IUCrdata. .

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.

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Figures

Figure 1
Figure 1
The title mol­ecule with labeling scheme and 50% probability ellipsoids.
Figure 2
Figure 2
A portion of one layer viewed along the a-axis direction with N—H⋯N and C—H⋯O hydrogen bonds depicted by blue and black dashed lines, respectively. The slipped π-stacking inter­actions are depicted by orange dashed lines and non-inter­acting hydrogen atoms are omitted for clarity.
Figure 3
Figure 3
Packing viewed along the c-axis direction giving edge views of portions of three layers. Inter­molecular inter­actions are depicted as in Fig. 2 ▸ and non-inter­acting hydrogen atoms are omitted for clarity.
See this image and copyright information in PMC

References

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