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Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)meth-yl]-4-phenyl-4 H -1,2,4-triazol-3-yl}sulfan-yl)-1-(4-nitro-phen-yl)ethanone.

Trong Duc LeTien Cong NguyenThi Kim Dung HoangMinh Khoi HuynhQuang Thang PhanLuc Van Meervelt
Published in: Acta crystallographica. Section E, Crystallographic communications (2024)
The title compound, C 27 H 20 N 4 O 3 S, crystallizes in the monoclinic system, space group P 2 1 / n , with Z = 4. The global shape of the mol-ecule is determined by the orientation of the substituents on the central 4 H -1,2,4-triazole ring. The nitro-phenyl ring, phenyl ring, and naphthalene ring system are oriented at dihedral angles of 82.95 (17), 77.14 (18) and 89.46 (15)°, respectively, with respect to the triazole ring. The crystal packing features chain formation in the b -axis direction by S⋯O inter-actions. A Hirshfeld surface analysis indicates that the highest contributions to surface contacts arise from contacts in which H atoms are involved.
Keyphrases
  • crystal structure