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Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1- isopropyl-1H-indol-2-yl]allylidene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione

Kulkarni, Ajaykumar D. and Lutfor, M. R. and M. M., Yusoff and Huey, Chong Kwong and Ching, Kheng Quah (2015) Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1- isopropyl-1H-indol-2-yl]allylidene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione. Acta Crystallographica Section E: Crystallographic Communications, E71 (11). pp. 1411-1413. ISSN 2056-9890

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The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C C and the acyclic N C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)�, respectively, with the indole and benzene rings. In the crystal, molecules are linked by pairs of N—H� � �S hydrogen bonds, forming inversion dimers with an R2 2(8) ring motif. The dimers are linked via C—H� � �� interactions, forming chains along [110]. The chains are linked via �—� interactions involving inversion-related triazole rings [centroid–centroid distance = 3.4340 (13) A ˚ ], forming layers parallel to the ab plane.

Item Type: Article
Uncontrolled Keywords: crystal structure; 1,2,4-triazole-3-thione; indole; Schiff base; N—H⋯N hydrogen bonds; C—H⋯π inter­actions; π–π inter­actions.
Subjects: Q Science > QD Chemistry
Faculty/Division: Faculty of Industrial Sciences And Technology
Depositing User: PM. Dr. Md. Lutfor Rahman
Date Deposited: 11 Apr 2016 02:01
Last Modified: 31 Jan 2018 03:31
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