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

2-({5-[(萘-1-基)甲基]-4-苯基-4H-1,2,4-三唑-3-基}硫基)-1-(4-硝基苯基)乙酮的合成、晶体结构和Hirshfeld表面分析

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Abstract

The title compound, C(27)H(20)N(4)O(3)S, crystallizes in the monoclinic system, space group P2(1)/n, with Z = 4. The global shape of the mol-ecule is determined by the orientation of the substituents on the central 4H-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.

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