نتایج جستجو برای: disordered atoms
تعداد نتایج: 87941 فیلتر نتایج به سال:
The Sn atom in the title compound, [Sn(C(4)H(9))(2)(C(7)H(14)NS(2))(2)], exists in a tetra-hedral C(2)S(2)Sn coordination geometry. The geometry is distorted towards skew-trapezoidal-bipyramidal owing to the proximity of the double-bond S atoms [Sn-S = 2.521 (2) and Sn⋯S = 2.933 (2) Å]. The Sn atom lies on a special position of mm2 site symmetry and the tin-bound n-butyl chain is disordered abo...
In the title compound, C28H22O5S3, the central cyclo-hexane ring adopts a chair conformation. The atoms of the furan ring attached to the 6-position of the central cyclo-hexane ring are disordered over two sets of sites with occupancies of 0.832 (5) and 0.168 (5). The hy-droxy group is disordered over two positions (at the 4- and 6-positions of the cyclo-hexane ring) in the ratio 0.832 (5):0.16...
In the title compound, C(19)H(20)F(3)NOS, the dihedral angle between the mean planes of the two benzene rings attached to the thioxanthene ring is 41.8 (7)°; the latter has a slightly distorted boat conformation. The F atoms are disordered over three sets of sites [occupancy ratio = 0.564 (10):0.287 (10):0.148 (5)] and the methyl groups are disordered over two sets of sites [occupancy ratio = 0...
The title stannoxane is a toluene-solvated dimer, [Sn(4)(C(7)H(6)Cl)(8)Cl(2)O(2)(OH)(2)]·C(7)H(8), the tetra-nuclear mol-ecule lying across a center of inversion. The Sn(4)O(4) framework, whose two independent Sn atoms show trigonal bipyramidal coordination, is essentially planar (r.m.s deviation = 0.02 Å). One of the two chloro-benzyl groups of the chloridodiorganyltin unit is disordered over ...
The invariant imbedding evolution equations for the amplitude reflection and transmission coefficients of a disordered 1D chain are shown to follow from the continuum limit, for weak disorder, of recursion relations between reflection (transmission) coefficients of Anderson chains of N andN−1 atoms embedded in infinite non-disordered chains. We show that various available analytical and numeric...
In the title compound, C(10)H(11)N(2) (+)·PF(6) (-)·C(10)H(10)N(2), the H atom involved in protonation is disordered equally between the cation and the neutral mol-ecule. The dihedral angle between the phenyl and imidazole rings is 82.6 (2)°. In the crystal structure, there are head-to-tail π-π stacking inter-actions between imidazole rings; the inter-planar separation is 3.295 (1) Å and the ce...
In the title compound, [Sb(C(9)H(12)N)(2)Cl], the Sb atom adopts a Ψ-trigonal-bipyramidal geometry. The two 2-[(dimethyl-amino)-methyl]-phenyl ligands are coordinated asymmetrically to the Sb atom. The carbon atoms of one of the ligands are disordered over sets of sites with equal occupancy, resulting in two conformational isomers in the crystal. The Sb-C and Sb-N distances in the ordered ligan...
In the title compound, C(30)H(48)BNOP(2)·0.5H(2)O, the water molecule is disordered about an inversion centre. Both phospho-rus atoms shows distortions in their tetra-hedral environments with the cyclo-hexyl substituents disordered over two orientations in a 0.851 (3):0.149 (3) occupancy ratio. The crystal structure is assembled via O-H⋯O inter-actions between pairs of phosphininc amide mol-ecu...
In the title Schiff base, C(17)H(14)Cl(4)N(2), the atoms of one of the 2,6-dichloro-benzyl-idene units and the central 1,2-diamino-propane grouping are disordered over two sets of sites in a 0.8838 (12):0.1162 (12) ratio. The dihedral angles between the ordered benzene ring and its disordered counterparts are 57.41 (12) and 54.8 (6)° for the major and minor disorder components, respectively. Th...
The title thia-calix[4]arene derivative, C72H80O4S8, adopts a 1,3-alternate conformation, where the four 4-methyl-sul-fan-yl-benzyl groups are located alternately at the two sides of a virtual plane defined by the four bridging S atoms. In the crystal, there are no significant inter-molecular inter-actions present. Some of the peripheral tert-butyl and methyl-sulfanyl groups are disordered over...
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