The design and synthesis of dinuclear-lanthanide complexes possessing triazole-based bridges, formed by using copper catalysed 1,3-cycloaddition reactions between heptadentate alkyne functionalised cyclen europium or terbium complexes and di-azides (CuAAC reactions), are described. While this click reaction worked well for the formation of the homo-Eu(III) and Tb(III) bis-tri-arm cyclen N,N-dim...

The title compound, C(26)H(27)N, was prepared by the elimination of water from N-(2,6-diisopropyl-phen-yl)-2,2-diphenyl-acetamide. The angle at the central C atom of the cumulene measures 172.5 (4)°. Mol-ecules are connected into infinite chains by inter-molecular C-H⋯N inter-actions.

The structure of catena-poly[[potassium-tri-μ-di-methyl-acetamide-κ(6) O:O] iodide], {[K(C4H9NO)3]I} n , at 120 K has trigonal (P-3) symmetry. The structure adopts a linear chain motif parallel to the crystallographic c axis. Two crystallographically independent K(+) cations are present in the asymmetric unit located on threefold rotoinversion axes at [0, 0, 0] and [0, 0, 1/2] and are bridged b...

In the title compound, C(10)H(11)Cl(2)NO, the N-H bond is syn to the 3-methyl substituent in the aromatic ring, similar to that observed in N-(3,4-dimethyl-phen-yl)acetamide and to the 3-chloro substituent in 2,2-dichloro-N-(3,4-dichloro-phen-yl)acetamide, and contrasting with the anti conformation observed for the 3-methyl substituent in 2,2,2-trichloro-N-(3,4-dimethyl-phen-yl)acetamide. On th...

In the title compound, C(8)H(5)Cl(3)N(2)O(3), the dihedral angle between the nitro-phenyl ring and the acetamide group is 5.47 (6)°. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into chains running parallel to the b axis.

To determine the non-bonded interaction energies between Naphthalene and B12N12 Nano ring in different orientations and distances, geometry of molecules with B3LYP method and 6-31g* basis set optimized. Also reactivity and stability of Naphthalene alone and in the presence B12N12 Nano ring checked. Then calculated the NBO, NMR, FREQ, NICS and muliken charge of Naphthalene atoms alone and in the...

To determine the non-bonded interaction energies between Naphthalene and B12N12 Nano ring in different orientations and distances, geometry of molecules with B3LYP method and 6-31g* basis set optimized. Also reactivity and stability of Naphthalene alone and in the presence B12N12 Nano ring checked. Then calculated the NBO, NMR, FREQ, NICS and muliken charge of Naphthalene atoms alone and in the...

N-Acyloxy-N-alkoxyamides are direct-acting mutagens in S. typhimurium TA100 with a linear dependence upon log P that maximises at log P0 = 6.4. Eight N-acyloxy-N-alkoxyamides (2-9) bearing a naphthalene group on any of the three side-chains and with log P0 < 6.4 have been demonstrated to be significantly and uniformly more mutagenic towards S. typhimurium TA100 than 50 mutagens without naphthal...

Our studies suggest that the acetamide linker and long tails are suitable structural features to design selective CA inhibitors.