نتایج جستجو برای: disordered atoms
تعداد نتایج: 87941 فیلتر نتایج به سال:
In the title compound, C(21)H(22)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008 (2) Å. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions, forming inversion dime...
In the title mol-ecule, C(13)H(13)NO, the dihedral angle between the benzene ring and the fused pyrrole ring is 2.03 (5)°. The methyl group at the 3-position has an equatorial orientation. The cyclo-hexene ring adopts an envelope conformation. Three C atoms of the cyclo-hexene ring, with their attached H atoms, and all atoms of the methyl group are disordered over two positions, the site-occupa...
In the title compound, [Pd(C(7)H(7)O(3)S)(2)(C(13)H(14)N(2))(2)](n), the metal ion, located on a twofold rotation axis, exhibits a slightly distorted octa-hedral coordination environment, with bond angles that deviate by at most 2.2° from an ideal geometry, completed by two O atoms from two deprotonated p-toluene-sulfonic acid ligands and four N atoms from four 1,3-di-4-pyridylpropane ligands. ...
In the title dinuclear salen-type complex, [CuEu(C(22)H(24)N(2)O(4))(NO(3))(3)(CH(3)OH)], the Cu(II) ion is five-coordinated to two imine N atoms and two phenolate O atoms and one O from the bridging nitrate group. The Eu(III) ion is ligated to three nitrate groups, four O atoms from the salen-type ligand and one methanol mol-ecule, leading to a distorted tenfold coordination for the rare earth...
In the structure of the title coordination polymer, {(C(8)H(20)N)[Sn(3)(CH(3))(9)(SO(4))(2)]}(n), each of the three Sn(IV) atoms is coordinated in a trigonal-bipyramidal manner by three methyl groups in the equatorial plane and by two O atoms of SO(4) (2-) anions in the axial positions. The μ(3)-bridging mode of the sulfate anions leads to the formation of corrugated anionic layers parallel to ...
The title complex, [Cu(C17H13N2O2)2], crystallizes with two independent mol-ecules in the asymmetric unit. Each Cu(II) atom has a distorted ocahedral coordination environment defined by two N atoms and four O atoms from two tridentate 1-[(E)-(2-meth-oxy-phen-yl)diazen-yl]naphthalen-2-olate ligands. In the crystal, the two mol-ecules are linked via weak C-H⋯O hydrogen bonds which in turn stack p...
In the title complex, [Co(C(3)H(3)O(2))(C(27)H(27)N(7))]ClO(4)·C(3)H(7)NO·1.5CH(4)O, the Co(II) ion is five-coordinated by four N atoms from a tris-(1-methyl-1H-benzimidazol-2-ylmeth-yl)amine (mentb) ligand and one O atom from an acrylate ligand in a distorted trigonal-bipyramidal geometry with approximate mol-ecular C(3) symmetry. The atoms of the acrylate ligand are disordered over two sites,...
In the title compound, C(17)H(10)F(6)N(4)O(2)S, an intra-molecular N-H⋯N hydrogen bonds forms an S(5) ring whereas N-H⋯O and C-H⋯S inter-actions complete S(6) ring motifs. The dihedral angle between the fused ring system and the phenyl ring is 6.68 (8)°. In the crystal, the mol-ecules are dimerized due to N-H⋯O inter-actions. π-π inter-actions are present between the benzene rings [centroid-cen...
In the title compound, C24H25ClN2, the methine, methyl-ene and methyl C atoms of the methyl-substituted imidazolidine ring are disordered over two sets of sites with a refined occupancy ratio of 0.834 (4):0.166 (4). Each disordered ring assumes an envelope conformation with an N atom as the flap. The pendant benzyl rings are oriented equatorially with respect to the imidazolidine ring. The chlo...
In the centrosymmetric dinuclear title compound, [Cd(2)(C(14)H(9)O(4))(2)Cl(2)(C(15)H(11)N(3))(2)]·0.5H(2)O, each of the Cd(II) ions is coordinated by three N atoms from a chelating 2,2':6',2''-terpyridine ligand, two bridging Cl atoms and one O atom of a 2'-carb-oxy-[1,1'-biphen-yl]-2-carboxyl-ate anion. The coordination environment is distorted octa-hedral. In the crystal, inter-molecular O-H...
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