نتایج جستجو برای: disordered atoms

تعداد نتایج: 87941  

2012
Hong Dae Choi Pil Ja Seo Uk Lee

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...

2009
A. Thomas Gunaseelan K. Prabakaran K. J. Rajendra Prasad A. Thiruvalluvar R. J. Butcher

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...

2009
Suwen Wang Tianyu Yang Zhongfang Li Xianjin Yu

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. ...

2010
Yan Bao Guang-Ming Li Fan Yang Peng-Fei Yan Peng Chen

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...

2012
Tidiane Diop Libasse Diop Arie van Lee

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 ...

2015
Souheyla Chetioui Noudjoud Hamdouni Djamil-Azzeddine Rouag Salah Eddine Bouaoud Hocine Merazig

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...

2008
Huilu Wu Wei Ying Kaitong Wang Xingcai Huang Ke Li

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,...

2010
Humayun Pervez Mohammad S. Iqbal Naveeda Saira Muhammad Yaqub M. Nawaz Tahir

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...

2012
Augusto Rivera Lorena Cardenas Jaime Ríos-Motta Václav Eigner Michal Dušek

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...

2009
Wu Zhang Wen-Juan Li

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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