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

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

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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...

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Bibliographic Details
Main Authors: Kulkarni, Ajaykumar D., Rahman, Md. Lutfor, Mohd. Yusoff, Mashitah, Huey, Chong Kwong, Ching, Kheng Quah
Format: Article
Language:English
Published: International Union of Crystallography 2015
Subjects:
QC1-999 Physics
QD1-999 Chemistry
Online Access:http://eprints.usm.my/38585/1/Crystal_structure_of_4-%28%7B%281E%2C2E%29-3-%5B3-%284-fluorophenyl%29-1-isopropyl-1H-indol-2-yl%5Dallylidene%7Damino%29-1H-.pdf
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Summary: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 ° ].

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