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

Kulkarni, A.D.¹  Kwong, H.C.²  Mohd. Yusoff, M.³  Rahman, M.L.³  Quah, C.K.⁴ 

[1] Department of Chemistry, KLS's Gogte Institute of Technology, Jnana Ganga, Udyambag, Belagavi 590 008 Karnataka, India;School of Chemical Sciences, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia;University Malaysia Pahang, Faculty of Industrial Sciences and Technology, 26300 Gambang, Kuantan, Pahang, Malaysia;X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia

关键词: CRYSTAL STRUCTURE;    1,2,4-TRIAZOLE-3-THIONE;    INDOLE;    SCHIFF BASE;    N-H...N HYDROGEN BONDS;    C-H...[PI] INTERACTIONS;    [PI]-[PI] INTERACTIONS;   

DOI  :  10.1107/S205698901502201X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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) Å] and the acyclic N=C [1.283 (2) and 1.281 (2) Å] 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 π–π inter­actions involving inversion-related triazole rings [centroid–centroid distances = 3.3436 (11)–3.4792 (13) Å].

【 授权许可】

CC BY