The bis-(anil) mol-ecule of the title compound, C(47)H(32)N(2)O(2)·C(6)H(4)Cl(2), contains two anil fragments in the enol-enol form, exhibiting intra-molecular O-Hâ¯N hydrogen bonds. The two hy-droxy-naphthalene ring systems are approximately parallel to each other with a dihedral angle of 4.67â (8)° between them, and each ring system makes a large dihedral angle [55.11â (11) and 48.50â (10)°] with the adjacent benzene ring. In the crystal, the bis-(anil) mol-ecules form an inversion dimer by a pair of weak C-Hâ¯O inter-actions. The dimers arrange in a one-dimensional column along the b axis via another C-Hâ¯O inter-action and a Ï-Ï stacking inter-action between the hy-droxy-naphthalene ring system with a centroid-centroid distance of 3.6562â (16)â à . The solvent 1,2-di-chloro-benzene mol-ecules are located between the dimers and bind neighbouring columns by weak C-Hâ¯Cl inter-actions. Theoretical prediction of potential biological activities was performed, which suggested that the title anil compound can exhibit histone de-acetyl-ase SIRT2, histone de-acetyl-ase class III and histone de-acetyl-ase SIRT1 activities, and will act as inhibitor to aspulvinone di-methyl-allyl-transferase, de-hydro-l-gulonate deca-rboxylase and gluta-thione thiol-esterase.
Crystal structure of 1,1'-{(1E,1'E)-[4,4'-(9H-fluorene-9,9-di-yl)bis-(4,1-phenyl-ene)]bis-(aza-nylyl-idene)bis(methanylyl-idene)}bis-(naphthalen-2-ol) di-chloro-benzene monosolvate.
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作者:Wodajo Ayalew, Tskhovrebov Alexander G, Le Tuan Anh, Kubasov Alexey S, Grishina Maria M, Krutius Oleg N, Khrustalev Victor N
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2020 | 起止号: | 2020 Sep 4; 76(Pt 10):1579-1581 |
| doi: | 10.1107/S2056989020012104 | ||
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