Divalent Metal Complexes of 2-Formylphenoxyacetic Acid: The Crystal Structures of 2-Formylphenoxyacetic Acid, and the Isomorphous Cobalt(II) and Zinc(II) 2-Formylphenoxyacetates

1985 ◽  
Vol 38 (9) ◽  
pp. 1381 ◽  
Author(s):  
CHL Kennard ◽  
EJ O'Reilly ◽  
G Smith ◽  
TCW Mak
Keyword(s):  
Metal Complexes ◽  
Crystal Structures ◽  
Divalent Metal ◽  
Carboxyl Groups ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Planar Molecules ◽  
Divalent Metal Complexes ◽  
Monoclinic Cell

The crystal structures of 2-formylphenoxyacetic acid ( ofpaH ), tetraaquabis (2-formylphenoxyacetato)-cobalt(II) (1) and tetraaquabis (2- formylphenoxyacetato )zinc(II) (2) have been determined by X-ray diffraction and refined to residuals R 0.039, 0.058 and 0.045 for 1197, 1178 and 1230 observed reflections respectively. 2-Formylphenoxyacetic acid crystallizes in a monoclinic cell, space group P21/n with a 8.066(2), b 7.375(1), c 14.206(2) Ǻ, β 98.12(1)° and Z 4. The planar molecules form unusual hydrogen-bonded chain polymers (O…O 2.694(3)Ǻ] linked through the carboxyl groups. The complexes (1) and (2) are isomorphous, the comparative cells being a 5.036(1), b 13.463(3), c 15.083(4) Ǻ, β 96.88(2)° for (1), and a 5.044(1), b 13.481(3), c 15.055(4) Ǻ, β 96.95(2)° for (2), with Z 2 and space group P21. The complexes have four waters and two trans-related carboxyl oxygens [mean M-O distances 2.129(5) and 2.117(3) Ǻ respectively] completing almost regular octahedral stereochemistries . The nickel(II) complex [Ni( ofpa )(H2O)4] is probably not isostructural with (1) and (2), and the copper(II) complex is also different, with formula [Cu( ofpa )2(H2O)2].

Divalent Metal-Complexes of 2-Fluorophenoxyacetic Acid - the Crystal-Structures of 2-Fluorophenoxyacetic Acid, Tetraaquabis(2-Fluorophenoxyacetato)Zinc(II) Dihydrate and Aquabis(2-Fluorophenoxyacetato)Bis(Pyridine)Copper(II)

1986 ◽  
Vol 39 (11) ◽  
pp. 1823 ◽  
Author(s):  
CHL Kennard ◽  
EJ Oreilly ◽  
S Schiller ◽  
G Smith ◽  
AH White
Keyword(s):  
Metal Complexes ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Pyramidal Geometry ◽  
A Cell ◽  
Divalent Metal Complexes

The crystal structures of 2-fluorophenoxyacetic acid ( oflpaH ) and the metal complexes aquabis (2-fluorophenoxyacetato) bis (pyridine)copper(II) (1) and tetraaquabis (2-fluorophenoxyacetato)zinc(II) dihydrate (2) have been determined by X-ray diffraction and refined to residuals R 0.036, 0.041, 0.025 for 641, 863 and 1505 observed reflections respectively. The acid crystallizes in a monoclinic cell, space group P21/c with a 6.207(2), b 19.363(8), c 6.999(2) Ǻ, β 114.81(2)� and Z 4. The molecules form planar, centrosymmetric , hydrogen-bonded cyclic dimers [O...O, 2.618(4)Ǻ]. Complex (1) is orthorhombic, space group P2cb with two molecules in a cell of dimensions a 5.621 (2), b 17.218(7), c 13.288(6)Ǻ while (2) is monoclinic, space group P21/c, a 6.597(2), b 5.279(2), c 30.079(10) Ǻ, β 94.65(3)�; with Z 2. Complex (1) has square-pyramidal geometry with the basal plane containing two trans related carboxyl oxygens [Cu-O, 1.944(4)Ǻ] and two trans related pyridine nitrogens [Cu-N, 2.030(5)Ǻ]. A water molecule occupies the apex of the square pyramid [Cu-OW, 2.199(8)Ǻ]. Complex (2) has octahedral geometry with the MO6 octahedron containing two trans related carboxyl oxygens [Zn-O, 2.122(2)Ǻ] and four water oxygens [Zn-OW, 2.069(2), 2.085(2)Ǻ]. Preliminary X-ray data also confirm that the magnesium(II) and manganese(II) complexes of 2-fluorophenoxyacetic acid are isomorphous with (2) but different from the cobalt(II) derivative.

Univalent Metal Complexes of (Perfluorophenoxy)acetic Acid. The Crystal Structures of (2,3,4,5,6-Pentafluorophenoxy)acetic Acid, Bis-μ-[(2,3,4,5,6-pentafluorophenoxy)acetato-O,O']-bissilver(I) and catena-Bis-μ-[(2,3,4,5,6-Pentafluorophenoxy)acetato-O]-bismercury(I)

1988 ◽  
Vol 41 (5) ◽  
pp. 683 ◽  
Author(s):  
TCW Mak ◽  
WH Yip ◽  
CHL Kennard ◽  
G Smith ◽  
EJ Oreilly
Keyword(s):  
Acetic Acid ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Side Chain ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
A Cell ◽  
Oxyacetic Acid

The crystal structures of perfluorophenoxyacetic acid [(2,3,4,5,6- pentafluorophenoxy )acetic acid] and its anhydrous complexes with silver(I) and mercury(I) have been determined by X-ray diffraction and refined to residuals R = 0.046, 0.042 and 0.104 for 1235, 1789 and 2750 observed reflections respectively. The acid forms the usual hydrogen- bonded cyclic dimers [O---O, 2.705(3)Ǻ] with the oxyacetic acid side- chain synclinally oriented. Crystals age triclinic, space group Pī with Z 2 in a cell of dimensions a 7.479(1), b 7.592(2), c 8.463(2)Ǻ,α 80.15(2),β 85.34(2),γ 61.31(1)Ǻ. The silver complex, [Ag2L2],(1), has crystals with a 5.992(3), b 30.22(2), c 5.277(2)Ǻ, β 106.42(5)°, space group P21/a and Z 2. The bis-carboxylato (O,O′) dimers have Ag-Ag 2.943(1)Ǻ with Ag-O, 2.203, 2.230(3)Ǻ and O-Ag-O 161.6(2)°. The complex with mercury(I), [Hg2L2]n, (2), is centrosymmetric with the usual linear O-Hg-Hg-O-bonds [Hg-Hg, 2.514(1)Ǻ; Hg-O, 2.13(1)Ǻ; O-Hg-Hg, 173.9(2)°]. Longer peripheral bonds to Hg [Hg-O, 2.63(1)Ǻ] produce a polymeric structure. Crystals of (2) are triclinic, space group Pī with Z 1 in a cell of dimensions a 5.038(1), b 5.970(1), c 15.774(6)Ǻ, α 80.77(2),β 86.42(2),γ 84.38(2)°.

Metal Phenoxyalkanoic Acid Interactions. XXV. The Crystal Structures of (2-Formyl-6-Methoxyphenoxy)Acetic Acid and Its Zinc(II) Complex and the Lithium, Zinc(II) and Cadmium(II) Complexes of (2-Chlorophenoxy)Acetic Acid

1987 ◽  
Vol 40 (7) ◽  
pp. 1147 ◽  
Author(s):  
EJ Oreilly ◽  
G Smith ◽  
CHL Kennard ◽  
TCW Mak
Keyword(s):  
Acetic Acid ◽  
Crystal Structures ◽  
Free Acid ◽  
Rotational Symmetry ◽  
Carboxyl Groups ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Third ◽  
Planar Complex ◽  
Hydrogen Bonded

The crystal structures of (2-formyl-6-methoxyphenoxy)acetic acid (1), diaquabis [(2-formyl-6-methoxyphenoxy) acetato ]zinc(11) (2), tetraaquabis [(2-chlorophenoxy) acetato ]zinc(11) (3), triaquabis [(2-chlorophenoxy) acetato ]cadmium(11) dihydrate (4) and lithium (2-chloro- phenoxy )acetate 1.5 hydrate (5) have been determined by X-ray diffraction. The acid (1) forms centrosymmetric hydrogen-bonded cyclic dimers [O…0, 2.677(6) �] which are non-planar. Complex (2) is six-coordinate with two waters [Zn- Ow , 1.997(2) �] and four oxygens from two asymmetric bidentate carboxyl groups [Zn-O, 2.073, 2.381(2) �] completing a skew trapezoidal bipyramidal stereochemistry. Complex (5) is also six-coordinate but is octahedral, with two trans-related unidentate carboxyl oxygens [mean Zn-O, 2.134(9) �] and four waters [mean Zn-O, 2.081(9) �]. The seven-coordinate complex (4) has crystallographic twofold rotational symmetry relating two :symmetric bidentate acid ligands [ Cd -O, 2.26, 2 48(:) �] and two waters [ Cd -O, 2.34(2) �] while the third water lies on this axis [ Cd -O, 2.27(2) �]. In contrast to the monomers (2)-(4), complex (5) is polymeric with tetrahedral lithium coordinated to one water and three carboxylate oxygens [mean Li-0, 1.95(1) �]. The essential conformation of the free acid is retained in complexes (2), (3) and (4) but in (5), it is considerably changed.

Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von cis-[ReCl4X2]2-, X = NCS, NCSe / Crystal Structures, Vibrational Spectra and Normal Coordinate Analysis of cis-[ReCl4X2]2-, X = NCS, NCSe

1998 ◽  
Vol 53 (11) ◽  
pp. 1329-1334 ◽  
Author(s):  
L. Homolya ◽  
S. Strueß ◽  
W. Preetz
Keyword(s):  
Crystal Structures ◽  
Normal Coordinate Analysis ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
Valence Force ◽  
Space Group ◽  
X Ray ◽  
Valence Force Field ◽  
Ir And Raman

The crystal structures of cis-(n-Bu4N)2[ReCl4(NCS)2] (triclinic, space group P1̅, a = 11,245( 1), b = 20.174(3), c = 21.320(8) Å, a =109.06(2), β = 96.46(2), γ = 98.22(5)°, Z = 4) and cis-(Ph4P)2[ReCl4(NCSe)2]·2CH2Cl2 (triclinic, space group P1̅, a = 10.341(2), b = 13.436(3), c = 19.616(4) Å, α = 92.70(2), β = 92.02(2), γ = 89.99( 1)°, Z= 2) have been determined by single crystal X-ray diffraction analysis. Both ambidentate ligands NCS and NCSe are bonded via the N atom. Using the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra of the (n-Bu4N) salts have been assigned by normal coordinate analysis based on a modified valence force field. The valence force constants fd(ReN) are 1,78(NCS) and 1,79(NCSe) mdyn/ Å.

Die neuen Oxoarsenate(III) AAsO2 (A = Na, K, Rb) und Cs3As5O9. Darstellung, Kristallstrukturen und Raman-Spektren / The New Oxoarsenates(III) AAsO2 (A = Na, K, Rb) and Cs3As5O9. Synthesis, Crystal Structures and Raman Spectra

2003 ◽  
Vol 58 (7) ◽  
pp. 620-626 ◽  
Author(s):  
Franziska Emmerling ◽  
Caroline Röhr
Keyword(s):  
Crystal Structures ◽  
Metal Content ◽  
Alkali Metals ◽  
Alkaline Metal ◽  
Tetrahedral Coordination ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Metal Arsenates

The new alkaline metal arsenates(III) were synthesized at a temperature of 500 °C via reaction of stoichiometric mixtures of the elemental alkali metals A and As2O3. In the crystal structures of the four title compounds, which have been determined by single crystal x-ray diffraction, the As(III) atoms are in ψ-tetrahedral coordination by oxygen exclusively. In NaAsO2 (orthorhombic, space group Pbcm, a = 1429.6(9), b = 677.3(3), c = 509.1(2) pm, Z = 8) and the compounds AAsO2 (A = K/Rb, orthorhombic, space group Pbcm, a = 715.1(2)/729.7(5), b =748.0(1)/775.2(5), c = 539.20(17)/541.1(3) pm, Z = 4) the AsO3 ψ-tetrahedra are condensed to form zig-zag chains [AsOO2/2]−. In the Cs phase Cs3As5O9 with a lower alkaline metal content (trigonal, space group P31m, a = 845.5(3), c = 602.6(2) pm, Z = 1) the two crystallographically independent ψ-tetrahedra AsO3/2 and AsOO2/2 are connected in a 2:3 ratio to give polar sheets [As5O9]3−.

The Constituents of Marine Sponges. IX New Norditerpenoids from Aplysilla pallida

1997 ◽  
Vol 50 (9) ◽  
pp. 903 ◽  
Author(s):  
Trevor W. Hambley ◽  
Walter C. Taylor ◽  
Stephen Toth
Keyword(s):  
Crystal Structures ◽  
Spectroscopic Studies ◽  
Marine Sponges ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Four novel norditerpenoids were isolated from a new encrusting sponge, conveniently labelled Aplysilla pallida. The structures of aplypallidenone (1), aplypallidoxone (2), aplypallidione (3) and aplypallidioxone (4) were elucidated by spectroscopic studies and the crystal structures of aplypallidenone and aplypallidoxone have been determined by X-ray diffraction methods. The structure of (1) was refined to a residual of 0·040 for 1665 independent observed reflections and the structure of (2) was refined to a residual of 0·031 for 1699 independent observed reflections. The crystals of (1) are orthorhombic, space group P212121, a 7·728(2), b 10·838(4), c 24·880(5) Å, Z 4. Those of (2) are monoclinic, space group C 2, a 23·927(7), b 6·674(2), c 14·033(3) Å, Z 4.

scholarly journals The crystal structures of kidwellite and ‘laubmannite’, two complex fibrous iron phosphates

2004 ◽  
Vol 68 (1) ◽  
pp. 147-165 ◽  
Author(s):  
U. Kolitsch
Keyword(s):  
Crystal Structures ◽  
Metal Cation ◽  
Iron Phosphate ◽  
Group Symmetry ◽  
X Ray Diffraction ◽  
Narrow Channels ◽  
Iron Phosphates ◽  
Space Group ◽  
X Ray ◽  
Complex Crystal

AbstractThe previously unknown, complex crystal structures of two fibrous ferric iron phosphate minerals have been solved using single-crystal X-ray diffraction data. The structure of a slightly arsenatian kidwellite has been refined in space group P2/c (a = 20.117(4), b = 5.185(1), c = 13.978(3)Å, β = 107.07(3)°, V = 1393.8(5)Å3, Z = 2) to R1 = 5.21%; a revision of both space group symmetry and chemical formula is proposed. The idealized formula is Na(Fe3+,M)9+x(OH)11(H2O)3(PO4)6, where M = Fe3+, Cu2+ or other metal cation, and x ≈ 0.3. The structure of a slightly arsenatian ‘laubmannite’ (as defined by Moore, 1970) has been refined in space group Pbcm (a = 5.172(1), b = 13.999(3), c = 31.083(6)Å, V = 2250.5(8)Å3, Z = 4) to R1 = 3.14%. The revised, idealized formula is (Fe3+,Fe2+,M)8+x(OH,H2O)9(-H2O)2(PO4)5, where M = Fe3+, Cu2+ or other metal cation, and x ≈ 0.1. The framework structures of both minerals are similar. Dominant building units are dimers composed of face- and edge-sharing FeO6 octahedra. Whereas kidwellite contains an additional trimer built of three corner-sharing FeO6 octahedra, ‘laubmannite’ instead contains a dimer built of two corner-sharing FeO6 octahedra. Kidwellite contains only trivalent iron, while one of the Fe sites in ‘laubmannite’ is occupied by a mixture of Fe3+ and Fe2+ in a 1:1 ratio. In both structures, the FeO6-based building units are linked via corners to PO4 tetrahedra; the M sites are located in narrow channels and have very low occupancies (~2 to 7%) and strongly distorted [6]- or [5+1]-coordinations. Close structural relations between kidwellite and ‘laubmannite’, and other fibrous iron phosphates explain observations of epitaxial intergrowths of them.

On racemic and L-malates: a comparison of their crystal structures

2004 ◽  
Vol 219 (2) ◽  
Author(s):  
Michel Fleck ◽  
Ekkehart Tillmanns ◽  
Ladislav Bohatý ◽  
Peter Held
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray

AbstractThe crystal structures of eight different L-malates have been determined and refined from single-crystal X-ray diffraction data. The compounds are the monoclinic (space groupIn addition, for all the compounds, powder diffraction data were collected, analysed and submitted to the powder diffraction file (PDF).

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