Crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate

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-590008 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;    INDOL-2-ONE;    PYRAZOLE;    INDOLE;    SCHIFF BASE;    N-H...O AND O-H...O HYDROGEN BONDS;    C-H...[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989016001614

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title indolin-2-one compound, C28H23FN4O·C2H6O, crystallizes as a 1:1 ethanol solvate. The ethanol mol­ecule is disordered over two positions with refined site occupancies of 0.560 (14) and 0.440 (14). The pyrazole ring makes dihedral angles of 84.16 (10) and 85.33 (9)° with the indolin-2-one and indole rings, respectively, whereas the dihedral angle between indolin-2-one and indole rings is 57.30 (7)°. In the crystal, the components are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming an inversion mol­ecule–solvate 2:2 dimer with R44(12) ring motifs. The crystal structure is consolidated by π–π inter­action between pairs of inversion-related indolin-2-one rings [inter­planar spacing = 3.599 (2) Å].

【 授权许可】

CC BY