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Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)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)1H-1,2,4-triazole-5(4H)-thione. Acta Crystallographica Section E: Crystallographic Communications, E71 (12). pp. 1525-1527. ISSN 2056-9890

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The asymmetric unit of the titled compound, C22H20FN5S, comprises two independent molecules (A and B), both of which have a trans conformation with respect to the methene C C [1.342 (2) and 1.335 (2) A ˚ ] and the acyclic N C [1.283 (2) and 1.281 (2) A ˚ ] bonds. In molecule A, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)� with the benzene and indole rings,respectively. The corresponding dihedral angles for molecule B are 54.54 (11) and 14.60 (10)�, respectively. In the crystal, molecules are consolidated into –A–B–A–B– chains along [010] via N—H� � �N hydrogen bonds. The chains are further linked into layers parallel to the ac plane via �–� interactions involving inversion-related triazole rings [centroid–centroid distances = 3.3436 (11)–3.4792 (13) A ˚ ].

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 02:17
Last Modified: 31 Jan 2018 03:31
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