Crystal and molecular structure of a crown-bridgedp-t-butyl-calix[4]arene (1:1) pyridine complex. Host-guest interaction model based on molecular mechanics analysis [1]

1988 ◽  
Vol 6 (5) ◽  
pp. 523-536 ◽  
Author(s):  
G. D. Andreetti ◽  
O. Ori ◽  
F. Ugozzoli ◽  
C. Alfieri ◽  
A. Pochini ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Molecular Mechanics ◽  
Crystal And Molecular Structure ◽  
Interaction Model ◽  
Model Based ◽  
Pyridine Complex ◽  
Mechanics Analysis

Crystal and molecular structure of polymeric MeSHgO2CMe and MeSHgO2CMe,C5H5N and the tetranuclear complex (ButS)4Cl4Hg4(C5H5N)2

1978 ◽  
Vol 31 (3) ◽  
pp. 677 ◽  
Author(s):  
AJ Canty ◽  
CL Raston ◽  
AH White
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Polymeric Chain ◽  
Tetranuclear Complex ◽  
Pyridine Complex ◽  
Mercury Crystals

Crystals of methanethiolatomercury(II) acetate are monoclinic, P 21/c, with a 5.292(2), b 15.912(7), c 7.086(2) Ǻ, β 92.96(3)°, Z 4, and its pyridine complex MeSHgO2CMe,C5H5N is monoclinic, P21/n, with a 10.093(3), b 7.026(2), c 15.350(5) Ǻ, β 105.01(3)°, Z4. Both structures are based on a polymeric chain (-Hg-SMe-)n with coordinated acetate groups. In MeSHgO2CMe the chains are linked into sheets by bridging acetate groups, and in the pyridine complex the chains are isolated with pyridine and acetate coordination at each mercury. Crystals of (ButS)4Cl4Hg4(C5H5N)2 are triclinic, Pī, with a 14.399(6), b 9.893(6), c 9.597(5) Ǻ, α 121.82(1), β 102.52(4), γ 102.94(4)°, and Z 1. The structure is based on a tetranuclear grouping of mercury atoms bridged by chloride and thiolate species and centrosymmetric about the origin. There are two mercury environments 'Hg(μ-SBut)2ClN' and 'Hg(μ-SBut)2(μ-Cl)2' with the dichloro bridge linking two equivalent mercury atoms on opposite sides of an (-Hg-SBut-)4 ring.

Crystal and molecular structure of a platinum(II) complex with β-mercaptoethylamine hydrochloride

2018 ◽  
Vol 59 (1) ◽  
pp. 191-195
Author(s):  
A. N. Azizova ◽  
◽  
D. B. Tagiev ◽  
S. N. Osmanova ◽  
Sh. G. Kasumov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure

The crystal and molecular structure of tris(pentamethylenedithiocarbamate) chromium(III)-chloroform (1 : 2)

1981 ◽  
Vol 46 (1) ◽  
pp. 6-19 ◽  
Author(s):  
Viktor Kettman ◽  
Ján Garaj ◽  
Jaroslav Majer
Keyword(s):  
Molecular Structure ◽  
Structural Analysis ◽  
Crystal And Molecular Structure ◽  
Analysis Method ◽  
Complex Molecules ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Cell Dimensions ◽  
Crustal Density ◽  
Unit Cell Dimensions

The crystal and molecular structure of [Cr(S2CN(CH2)5)3].2 CHCl3 was found by the X-ray structural analysis method. The value R 0.090 was found for 1 131 observed independent reflections. The substance crystallizes in a space group of symmetry P212121 with the following unit cell dimensions: a = 0.8675 (6), b = 1.815(2), c = 2.155(3) nm. The experimentally observed crustal density was 1.48 Mgm-3 and the value calculated for Z = 4 was 1.51 Mgm-3. The CrS6 coordination polyhedron has the shape of a trigonally distorted octahedron, where the D3 symmetry is a approximately retained. The degree of trigonal distortion expressed as the projection of the chelate S-Cr-S angle onto the plane perpendicular to the C3 pseudo axis is Φ = 41.7° (Φ = 60° for an octahedron). The skeleton of the structure formed by the complex molecules contains channels filled with chloroform molecules. The specific type of complex-chloroform interaction consists of the formation of hydrogen bonds of the chloroform protons with the fully occupied pπ-orbitals of the sulphur atoms in the coordination polyhedra. The low stability and crystal decomposition can be explained by loss of chloroform from the channels.

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