3-{5-[3-(4-氟苯基)-1-异丙基-1H-吲哚-2-基]-1H-吡唑-1-基}吲哚啉-2-酮乙醇单溶剂化物的晶体结构
Crystal structure of 3-{5-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate.
作者信息
Rahman Md Lutfor, Kulkarni Ajaykumar D, Mohd Yusoff Mashitah, Kwong Huey Chong, Quah Ching Kheng
机构信息
University Malaysia Pahang, Faculty of Industrial Sciences and Technology, 26300 Gambang, Kuantan, Pahang, Malaysia.
Department of Chemistry, KLS's Gogte Institute of Technology, Jnana Ganga, Udyambag, Belagavi-590008 Karnataka, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2016 Feb 3;72(Pt 3):283-6. doi: 10.1107/S2056989016001614. eCollection 2016 Mar 1.
The title indolin-2-one compound, C28H23FN4O·C2H6O, crystallizes as a 1:1 ethanol solvate. The ethanol mol-ecule 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 mol-ecule-solvate 2:2 dimer with R 4 (4)(12) ring motifs. The crystal structure is consolidated by π-π inter-action between pairs of inversion-related indolin-2-one rings [inter-planar spacing = 3.599 (2) Å].
标题化合物吲哚啉-2-酮（C28H23FN4O·C2H6O）以1:1乙醇溶剂化物形式结晶。乙醇分子在两个位置上无序分布，精修后的位点占有率分别为0.560 (14) 和0.440 (14)。吡唑环与吲哚啉-2-酮环和吲哚环的二面角分别为84.16 (10)° 和85.33 (9)°，而吲哚啉-2-酮环与吲哚环之间的二面角为57.30 (7)°。在晶体中，各组分通过N-H⋯O和O-H⋯O氢键相连，形成具有R 4 (4)(12)环模式的反演分子-溶剂化物2:2二聚体。晶体结构通过成对的反演相关吲哚啉-2-酮环之间的π-π相互作用得以巩固[平面间距 = 3.599 (2) Å]。
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