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Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethanone.
- Source :
-
Acta Crystallographica Section E: Crystallographic Communications . Feb2024, Vol. 80 Issue 2, p218-222. 11p. - Publication Year :
- 2024
-
Abstract
- The title compound, C27H20N4O3S, crystallizes in the monoclinic system, space group P21/n, with Z = 4. The global shape of the molecule is determined by the orientation of the substituents on the central 4H-1,2,4-triazole ring. The nitrophenyl 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 interactions. A Hirshfeld surface analysis indicates that the highest contributions to surface contacts arise from contacts in which H atoms are involved. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 20569890
- Volume :
- 80
- Issue :
- 2
- Database :
- Academic Search Index
- Journal :
- Acta Crystallographica Section E: Crystallographic Communications
- Publication Type :
- Academic Journal
- Accession number :
- 175563122
- Full Text :
- https://doi.org/10.1107/S2056989024000859