X-Ray structure analysis of methyl 2,3,4,5-Tetra-O-acetyl-α-D-galactoseptanoside

1980 ◽  
Vol 33 (5) ◽  
pp. 979 ◽  
Author(s):  
W Choong ◽  
JF McConnell ◽  
NC Stephenson ◽  
JD Stevens
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Structure Analysis ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray

The crystal structure of the title compound was determined by X-ray diffraction and the use of the multi-solution programs MULTAN 74. Crystals are monoclinic, space group C2 with Z = 4 in a unit cell of dimensions: a 21.140(6), b 9.394(3), c 9.765(3) Ǻ, β 108.73(5)°. The structure was refined by full-matrix least-squares methods to a final R of 0.036 for 1858 diffractometer reflections. The seven-membered ring approximates to a twist-chair conformation very similar to that found for the gluco analogue.

Crystal structure of Tetracyclo[5,3,1,12,6,04,9]dodecane (iceane)

1977 ◽  
Vol 30 (8) ◽  
pp. 1837 ◽  
Author(s):  
DPG Hamon ◽  
CL Raston ◽  
GF Taylor ◽  
JN Varghese ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Rigid Body ◽  
Least Squares ◽  
Title Compound ◽  
Molecular Geometry ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Hexagonal Close Packed

The crystal structure of the title compound, C12H18, has been determined at 295 K by X-ray diffraction and refined by full-matrix least squares to a residual of 0.049 for 216 ?observed? reflections; molecular geometry has been corrected for the effects of thermal motion using a rigid body approximation. Crystals are hexagonal, P63/m, a = 6.582(1), c = 11.843(3) Ǻ, Z = 2, the molecules occupying a hexagonal close- packed array.

Crystal structure of zerumbone [(E,E,E)-2,6,9,9-Tetramethylcycloundeca-2,6,10-trien-1-one]

1981 ◽  
Vol 34 (10) ◽  
pp. 2243 ◽  
Author(s):  
SR Hall ◽  
S Nimgirawath ◽  
CL Raston ◽  
A Sittatrakul ◽  
S Thadaniti ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Zingiber Zerumbet ◽  
Space Group ◽  
X Ray ◽  
Considerable Distortion

The crystal structure of zerumbone, C15H22O, extracted from the rhizomes of Zingiber zerumbet Smith, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.051 for 925 'observed' reflections. Crystals are monoclinic, space group P21/c, a 9.036(3), b 9.712(5), c 15.643(6) �, β 97.19(3)�, Z = 4. Although the molecule has no chiral centre, the presence of the three trans double bonds confers considerable distortion and rigidity on the eleven-membered ring and renders the whole molecule chiral and potentially resolvable.

Structural and kinetic trans effects in cobalt(III) complexes with cobalt-sulfur bonds. The crystal structure of trans-Bis(ethylenediamine)imidazolesulfitocobalt(III) perchlorate dihydrate

1978 ◽  
Vol 31 (5) ◽  
pp. 993 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
JK Yandell
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Internuclear Distances ◽  
Very High

The crystal structure of the title compound, [Co(C2N2H8)2(C3N2H4)(SO3)] ClO4,2H2O has been determined by X-ray diffraction, using diffractometer data, at 295 K, and refined by full-matrix least squares to a residual of 0.071 for 3425 ?observed? reflections. Crystals are orthorhombic, Pcmn, a 15.822(9), b 11.924(6), c 9.261(2) Ǻ, Z 4. The imidazole and sulfite ligands are trans in the cation, which has m symmetry (Co-S 2.223(2); Co-N 2.008(4) Ǻ). <Co-N(en)> is 1.964Ǻ. The apparent thermal motion of the sulfite about the Co-S axis is very high. The internal internuclear distances are compared to the data reported for series of similar complexes in which trans effects are observed.

Crystal structure of Tris(N,N-diethyldithiocarbamato)thallium(III)

1978 ◽  
Vol 31 (9) ◽  
pp. 1927 ◽  
Author(s):  
DL Kepert ◽  
CL Raston ◽  
NK Roberts ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Electron Pair ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound, [Tl(S2CNEt2)3], has been determined by single-crystal X-ray diffraction methods at 295 K and refined by full-matrix least squares to a residual of 0.050 for 2517 'observed' reflections. Crystals are monoclinic, with space group A2/a, a 14.789(7), b 10.428(4), c 18.207(9) Ǻ, β 118.11(4)°, Z 4, and are isostructural with those of the previously determined gallium and indium analogues, the molecule having 2 symmetry with <Tl-S> 2.666 Ǻ. As in the dimethyl/thallium analogue, the departure of the TlS6 core symmetry from 3 is large and is examined in terms of electron-pair repulsion theory.

Studies on tellurium-carbon bonded compounds. II. The crystal structure of [Heptane-3,5-dionato(2 - )]tellurium(II) ('1,1′-Dimethylacetylacetone tellurium(II)')

1977 ◽  
Vol 30 (3) ◽  
pp. 487 ◽  
Author(s):  
JC Dewan ◽  
J Silver
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Heavy Atom ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Monoclinic Space Group ◽  
Hydrogen Atoms ◽  
Full Matrix ◽  
Heavy Atom Method

The structure of the title compound has been determined by the heavy- atom method from 973 reflections, measured with a diffractometer, and refined by full-matrix least-squares methods to R 0.030. Crystals are monoclinic, space group P21, a = 8.69(1), b = 4.86(1), c = 10.14(2) Ǻ, β = 98.7(1)�, Z = 2. In the discrete molecules of the complex a tellurium(II) atom is bonded to one bivalent heptane-3,5-dione ligand through the α-carbon atoms [Te-C 2.184(6), 2.206(7) Ǻ; C-Te-C 89.7(3)�], forming a heterocyclic ring of chair conformation with the methyl substituents both in equatorial positions. The molecules are arranged in a zig-zag polymeric manner about the 21 axes at x = 0 and z = 0. All hydrogen atoms have been located.

Crystal structure of diammonium aquapentachloroferrate(III)

1978 ◽  
Vol 31 (12) ◽  
pp. 2717 ◽  
Author(s):  
BN Figgis ◽  
CL Raston ◽  
RP Sharma ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Hydrogen Bonded

The crystal structure of the title compound, (NH4)2 [FeCl5(H2O)], has been redetermined by single-crystal X-ray diffraction at 295 K and refined by full matrix least squares to a residual of 0.054 for 1662 'observed' reflections. Crystals are orthorhombic, Pnma, a 13.706(2), b 9.924(1), c 7.024(1)Ǻ Z 4. Fe-O is 2.110(4)Ǻ; Fe-Cl range between 2.323(1)Ǻ (trans to OH2) and 2.350(1)-2.390(1) Ǻ (cis), the latter distances being very dependent upon hydrogen-bonded interactions with nearby species.

Crystal Structure of Alloxan Monohydrate: A Redetermination

1989 ◽  
Vol 42 (10) ◽  
pp. 1795 ◽  
Author(s):  
JM Harrowfield ◽  
BW Skelton ◽  
AA Soudi ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Interatomic Distances ◽  
Full Matrix ◽  
X Ray ◽  
Alloxan Monohydrate ◽  
Long Chain

The structure of the title compound, C4H4N2O5, has been redetermined by single-crystal X-ray diffraction methods at c. 295 K. Crystals are triclinic, P1, a 8.217(2), b 6.809(2), c 5.765(4) �, α 66.49(3),β 81.87(3), γ 74.35(2)�, Z= 2; the structure was refined by full-matrix least squares to a residual of 0.042 for 2190 independent 'observed' reflections, typical non-hydrogen interatomic distances being determined with estimated standard deviations of 0.001 �. Together with the recent precise redetermination of the structure of alloxan , these results allow comparison of the geometries of essentially planar polycarbonyl (-hydrate) arrays with those of long-chain arrays previously recorded.

Crystal Structure of Sodium O,O'-Nitritonitroargentate(I)

1979 ◽  
Vol 32 (2) ◽  
pp. 297
Author(s):  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Nitro Group ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Full Matrix ◽  
X Ray ◽  
Linear Coordination

The crystal structure of the title compound, NaAg(NO2)2, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by full-matrix least squares to a residual of 0.043 for 449 'observed' reflections. Crystals are orthorhombic, space group Fd2d, a 7.913(2), b 10.721(2), c 10.857(3) �, Z 8. The structure is closely related to that of sodium and silver nitrites; the silver environment is dominated by the 'linear' coordination of a nitro group (Ag-N 2.25(2) �) and a 'chelating' pair of oxygen atoms from another NO2- species (Ag-O 2.422(8)�), the O2N-Ag-O2N group containing a crystallographic 2 axis.

Crystal structure of (1,7,8,9-η-Bicyclo[5,2,0]nona-1(7),2,5,8-tetraen-4-one)tricarbonyliron(0)

1978 ◽  
Vol 31 (7) ◽  
pp. 1619 ◽  
Author(s):  
SR Hall ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Iron Atom ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray

The crystal structure of the title compound, [Fe(CO)3(C9H6O)], has been determined from single-crystal X-ray diffraction data at 295 K and refined by full-matrix least squares to a residual of 0.039 (2160 'observed' reflections). Crystals are monoclinic, P21/c, a 9.326(5), b 12.293(5), c 10.342(4) Ǻ, β 115.77(3)°, Z 4. The iron atom is symmetrically bound to the four atoms of the cyclobutadiene ring (<Fe- C> 2.055 Ǻ).

scholarly journals Crystal Structure of Methanethiolatomercury(II) Chloride

1979 ◽  
Vol 32 (5) ◽  
pp. 1165 ◽  
Author(s):  
AJ Canty ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray

The crystal structure of the title compound, MeSHgCl, has been determined by single-crystal X-ray diffraction at 295 K and refined by full-matrix least squares to a residual of 0.048 for 787 'observed' reflections. Crystals are monoclinic, P21/c, a 7.490(4), b 7.395(2), c 7.815(3) �,β 92.93(4)�, Z 4, and are isostructural with the previously described MeSHgBr.

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