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 Rahman, Md. Lutfor and Mohd. Yusoff, Mashitah 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, 71. 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
Subjects: Q Science > QC Physics > QC1-999 Physics
Q Science > QD Chemistry > QD1-999 Chemistry
Divisions: Pusat Pengajian Sains Farmasi (School of Pharmacy) > Article
Pusat Pengajian Sains Kimia (School of Chemistry) > Article
Depositing User: Mr Noorazilan Noordin
Date Deposited: 29 Jan 2018 01:05
Last Modified: 29 Jan 2018 01:05

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