Crystal structure of 1,1′-{(1E,1′E)-[4,4′-(9H-fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate

Abstract

The bis(anil) molecule of the title compound, C47H32N2O2·C6H4Cl2, contains two anil fragments in the enol–enol form, exhibiting intramolecular O—H...N hydrogen bonds. The two hydroxynaphthalene ring systems are approximately parallel to each other with a dihedral angle of 4.67 (8)° between them, and each ring system makes a large dihedral angle [55.11 (11) and 48.50 (10)°] with the adjacent benzene ring. In the crystal, the bis(anil) molecules form an inversion dimer by a pair of weak C—H...O interactions. The dimers arrange in a one-dimensional column along the b axis via another C—H...O interaction and a π–π stacking interaction between the hydroxynaphthalene ring system with a centroid–centroid distance of 3.6562 (16) Å. The solvent 1,2-dichlorobenzene molecules are located between the dimers and bind neighbouring columns by weak C—H...Cl interactions. Theoretical prediction of potential biological activities was performed, which suggested that the title anil compound can exhibit histone deacetylase SIRT2, histone deacetylase class III and histone deacetylase SIRT1 activities, and will act as inhibitor to aspulvinone dimethylallyltransferase, dehydro-L-gulonate decarboxylase and glutathione thiolesterase.

Synthesis and Crystal Structure of the Dirhodium Tetraacetate-Di(cyclohexylisocyanide) Complex

“…In organometallic chemistry, isocyanides are widely used as ligands. Coordination of isocyanides to electron-poor metal centres result in the electrophilic activation of the CN triple bond towards the addition of various nucleophiles [1][2][3][4][5][6]. The latter pathway serves as an attractive approach for the creation of complexes with both N-heterocyclic carbenes (M-NHCs) and acyclic diaminocarbenes (M-ADCs), which are unavailable via the classical transmetallation approach [1][2][3][4].…”

“…Following our interest in CN triple bond activation [1][2][3][4][5][6][7][8][9], here we report the synthesis of dirhodium tetraacetate di(cyclohexylisocyanide) [Rh 2 (O 2 CCH 3 ) 4 (C≡NCy) 2 ] (1) and the evaluation of the Rh(II) ability to activate isocyanides towards nucleophilic addition.…”