scholarly journals The Chemistry of Heteroarylphosphorus Compounds, Part 16.+ An X-Ray Structural Study of (2-Thienyl)bis(2,2′-biphenylylene)phosphorane. A Comparison with Related Methyl and Aryl bis(2,2′-biphenylylene)- spirophosphoranes

1983 ◽  
Vol 38 (4) ◽  
pp. 465-469 ◽  
Author(s):  
David W. Allen ◽  
Lorraine A. March ◽  
Ian W. Nowell ◽  
John C. Tebby
Keyword(s):  
Least Squares ◽  
Electron Density ◽  
Structural Study ◽  
Equatorial Plane ◽  
Title Compound ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Thienyl Group ◽  
Density Methods ◽  
Least Squares Techniques

AbstractCrystals of the title compound are monoclinic, a= 18.9 93 (11), b = 8.757(5), c= 13.267(8) Å, β = 106.60(5)°, Z = 4 in space group Cc (Cs4 , No. 9). The structure was determined by Patterson and electron-density methods and refined by least squares techniques to R= 0.081, R′ = 0.085 for 1293 independent reflections classified as observed. The molecule is found to adopt an almost regular trigonal bipyramidal geometry in which the two biphenylylene units span apical-equatorial positions and the 2-thienyl group occupies the remaining equatorial site. The 2-thienyl group, which is disordered, does not lie in the equatorial plane, and there is no indication of C2pπ → P3dπ-t interactions between the heteroaryl group and phosphorus. The steric requirements of the 2-thienyl group appear to be comparable with those of methyl and phenyl groups in bis(2,2′-biphenylylene)spiro-phosphoranes.

X-ray Structural Study of 5-Phenyl-10,11-dihydrodibenzo[b,f]phosphepin-5-oxide

1980 ◽  
Vol 35 (2) ◽  
pp. 133-135 ◽  
Author(s):  
David W. Allen ◽  
Ian W. Nowell ◽  
Philip E. Walker
Keyword(s):  
Least Squares ◽  
Electron Density ◽  
Structural Study ◽  
Title Compound ◽  
Bond Distance ◽  
Direct Methods ◽  
X Ray ◽  
Phenyl Rings ◽  
Density Methods ◽  
Least Squares Techniques

AbstractCrystals of the title compound are triclinic, a = 8.533(5), b = 11.106(6), c = 8.815(5) Å, a = 107.83(6), β = 104.99(6), γ = 81.30(5)°, Z = 2, space group P1̄. The structure was determined by multisolution direct methods and electron density methods. Refinement by least-squares techniques gave a final R = 0.081 for the 1753 independent reflections. The molecule adopts a butterfly-type conformation such that the fused phenyl rings are inclined to each other at an angle of 56.8°. The P-0 bond distance is 1.506(4) Å; the endocyclic angle at phosphorus is 107.2(3)° and the exocyclic angles vary from 106.5 to 111.9(3)°.

Crystal structure of 2,3-Dichloro-5,8-dihydroxynaphtho-1,4-quinone

1978 ◽  
Vol 31 (3) ◽  
pp. 555 ◽  
Author(s):  
GI Feutrill ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
X Ray ◽  
The One ◽  
Least Squares Techniques

The crystal structure of the title compound has been determined at 295 K by single-crystal X-ray diffraction methods and refined by least- squares techniques to a residual of 0.049 for 1046 'observed' reflections. Crystals are monoclinic, P21/c, a 11.584(6), b 5.449(7), c 15.273(8) Ǻ, β 92.44(4)°, Z4. The pair of quinol hydrogen atoms are both located on the one benzene ring as the title indicates.

Crystal structure of Aquatetrakis(N-formylpiperidine)dioxouranium(VI) Bisperchlorate

1980 ◽  
Vol 33 (1) ◽  
pp. 69 ◽  
Author(s):  
GJ Honan ◽  
DL Kepert ◽  
SF Lincoln ◽  
JM Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Single Crystal ◽  
Least Squares ◽  
Equatorial Plane ◽  
Title Compound ◽  
Organic Ligands ◽  
X Ray Diffraction ◽  
Uranyl Compounds ◽  
X Ray

The crystal structure of the title compound, [UO2{OCHN(CH2)5}4(H2O)] (ClO4)2, has been determined by single-crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.051 for 3113 'observed' reflections. Crystals are monoclinic, C2/c, a 16.945(2), b 12.711(2), c 17.304(2)Ǻ, β 107.76(1)°, Z 4. The uranyl moiety [U=O, 1.76(2)Ǻ] is five-coordinated in the equatorial plane by the water molecule [U-O, 2.436(8)Ǻ] and four organic ligands [U-O, 2.379(8), 2.396(13)Ǻ]. The angles O-U-O in the equatorial plane range from 70.3(3) to 73.6(3)°; O=U-0 range between 86.7 and 95.3°. The angle O=U=O is 177.8(3)°. The stereochemistry of seven-coordinate uranyl compounds is examined by using repulsion theory.

Crystal structure of Iodobis(1,10-phenanthroline)copper(II) iodide octasulphur

1977 ◽  
Vol 30 (9) ◽  
pp. 1965 ◽  
Author(s):  
TW Hambley ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Significant Interaction ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Pass Through

The crystal structure of the title compound, [Cu(C12H8N2)2I]I,S8, has been determined by X-ray diffraction at 295(1) K and refined by least squares to R 0.066 (2031 ?observed? reflections). ��� Crystal data: orthorhombic, Pbcb, a 7.984(5), b 16.690(4), c 22.986(12) Ǻ, Z 4. ��� The structure comprises five-coordinate trigonal bipyramidal [Cu(phen)2I]+ cations (I equatorial) lying on the 2 axes parallel to a which pass through the Cu-I bonds, together with iodide anions, and lattice S8 molecules, also lying on 2 axes but parallel to b. In the cation, Cu-I is 2.672(3), Cu-N (equatorial) 2.10(1) and Cu-N (axial) 2.00(1) Ǻ. S-S ranges from 2.004(7) to 2.059(7). There appears to be no significant interaction between the octasulphur molecules and any other species.

Crystal Structure of Bis[hexakis(dimethylamino)cyclotriphosphonitrilium] Tetrachlorocobaltate(II)

1974 ◽  
Vol 52 (5) ◽  
pp. 734-737 ◽  
Author(s):  
Alistair L. Macdonald ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Least Squares ◽  
Electron Density ◽  
Title Compound ◽  
Full Matrix ◽  
Space Group ◽  
Density Methods ◽  
Protonated Nitrogen Atom ◽  
Hydrogen Bonded

Crystals of the title compound, [N3P3(NMe2)6H]2CoCl4, are orthorhombic, a = 34.623, b = 13.964, c = 10.486 Å, Z = 4, space group P212121. The structure was determined by Patterson and electron-density methods and refined by full-matrix least-squares procedures to R = 0.088 for 2178 observed reflexions. Both rings are slightly non-planar, with three distinct pairs of NP bonds: commencing at the protonated nitrogen atom, 1.68, 1.56, and 1.58 Å. The CoCl42− ion is tetrahedral and is hydrogen bonded to both rings, N—H … Cl = 3.32, 3.36 Å.

Crystal structure of ab-Bis(3-methylpyridine)-dc,fe-bis(pentane-2,3,4-trione 3-oximato)iron(II)

1978 ◽  
Vol 31 (11) ◽  
pp. 2431 ◽  
Author(s):  
BN Figgis ◽  
CL Raston ◽  
RP Sharma ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Chelate Ligands

The crystal structure of the title compound has been determined at 295 K by single-crystal X-ray diffraction and refined by least squares to a residual of 0.062. Crystals are monoclinic, P2/c, a 19.102(8), b 8.117(4), c 16.610(8) Ǻ, β 111.90(3)°, Z. Unlike the tris(α-oxyimino ketonato)iron(II) complexes which are fac, the present derivative is based upon substitution of the two picoline moieties into a mer derivative, trans to the nitrogen atoms of the chelate ligands. <Fe- N(picoline)> is 2.020; <Fe-N, O(chelate)> 1.880, 1.952 Ǻ.

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 (Z)-Cembr-4-ene-15,19,20-triol

1977 ◽  
Vol 30 (12) ◽  
pp. 2723 ◽  
Author(s):  
EN Maslen ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Relative Configuration ◽  
Macrocyclic Ring ◽  
X Ray

The crystal structure of the title compound, CZOH3803 [compound (1) in ref.'], has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.045 for 954 'observed' reflections. Crystals are monoclinic, P2', a 9.281(2), b 17.798(6), c 6.417(1) A, B 93.81(3)", Z 2. The structure determination establishes the relative configuration of the chiral centres within the 14-membered macrocyclic ring and shows the double bond to have the unusual (Z) configuration.

Die Kristallstruktur von Kalium-bis(hexamethylentetramin)-tris-(isothiocyanato)cuprat(II)-dihydrat, K[Cu(C6H12N4)2(NCS)3] · 2 H2O, einem trigonal-bipyramidalen Kupfer(II) -Komplex / The Crystal Structure of Potassium-bis(hexamethylenetetramine)-tris-(isothiocyanato) cuprate(II )-dihydrate, K[Cu(C6H12N4)2(NCS)3] · 2 H2O, a Trigonal Bipyramidal Cupric Complex

1981 ◽  
Vol 36 (5) ◽  
pp. 649-650 ◽  
Author(s):  
Joachim Pickardt
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Structure Analysis ◽  
Title Compound ◽  
X Ray ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Cupric Acetate

From an aqueous solution of cupric acetate containing an excess of KSCN and hexamethy- lenetetramine crystals of the title compound could be obtained. An X-ray structure analysis showed that the cuprate(II) anion has trigonal bipyramidal geometry. The three equatorial positions are occupied by NCS groups, the axial positions by the hexamethylenetetramine molecules

Crystal Structure of Ethyltriphenylphosphonium Bis(α,α,α',α'-tetracyanoquinodimethanide)

1979 ◽  
Vol 32 (10) ◽  
pp. 2187 ◽  
Author(s):  
RJ Fleming ◽  
MA Shaikh ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Triphenyl Phosphonium

The crystal structure of the title compound, [EtPh3P]+ [(C12H4N4)2]-, has been established by single-crystal X-ray diffraction methods at 295(1) K and refined by least squares to a residual of 0�039 for 3047 'observed' reflections. Crystals are triclinic, Pī, a 8 �882(7), b 13�522(5), c 15�927(6) �, α 75�34(3), β 96�69(5), γ 100.56(3)�, Z 2. The structure closely resembles that of the methyl-triphenyl-phosphonium and -arsonium analogues, containing tetrads of α,α,α',α'- tetracyanoquino- dimethane* molecules, the molecular planes lying parallel to each other and approximately normal to b.

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