نتایج جستجو برای: type ii halogenhalogen contacts are halogen bonds

تعداد نتایج: 6157948  

2013
Xiao-Bing Li Xiao-Jun Li Wei-Sheng Meng Yu-Jie Zhang Gang Li

In the title complex, [Cu(C22H17Br2N2O2)2], the Cu(II) ion is four-coordinated in a trans-CuN2O2 square-planar geometry by two phenolate O and two imino N atoms from two deprotonated N,O-bidentate ligands. In the crystal, the packing of the mol-ecules is controlled by C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.568 (3), 3.678 (2), 3.717 (3) and 3.799 (2) Å] and weak Br⋯Br halog...

2015
Reetu Sharma G. Narahari Sastry Sabato D'Auria

Thermus thermophilius isopropylmalate dehydrogenase catalyzes oxidative decarboxylation and dehydrogenation of isopropylmalate. Substitution of leucine to alanine at position 172 enhances the thermal stability among the known point mutants. Exploring the dynamic properties of non-covalent interactions such as saltbridges, hydrogen bonds and hydrophobic interactions to explain thermal stability ...

Journal: :Acta crystallographica. Section C, Crystal structure communications 2008
Katie Donnelly John F Gallagher Alan J Lough

The three title isomers, 4-, (I), 3-, (II), and 2-fluoro-N'-(4-pyridyl)benzamide, (III), all C12H9FN2O, crystallize in the P2(1)/c space group (No. 14) with similar unit-cell parameters and are isomorphous and isostructural at the primary hydrogen-bonding level. An intramolecular C-H...O=C interaction is present in all three isomers [C...O = 2.8681 (17)-2.884 (2) A and C-H...O117-118 degrees ],...

Journal: :Dalton transactions 2013
Chang Hoon Lee Daniel A Lutterman Daniel G Nocera

Photolysis of [Ni(II)(μ-Cl)Cl(IPr)](2) (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) activates the Ni-Cl bonds to furnish [Ni(I)(μ-Cl)(IPr)](2). Consistent with this photochemistry, a TD-DFT calculation for square planar Ni(ii) centre reveals that light excitation leads to the population of orbitals with σ*(Ni-Cl) character.

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