Crystal structure of a polychloroquinone soil pigment

1978 ◽  
Vol 31 (11) ◽  
pp. 2441 ◽  
Author(s):  
DW Cameron ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Chlorine Atoms ◽  
X Ray ◽  
Pigment Molecule ◽  
Solvent Molecules

The crystal structure of the title compound, C20H4Cl6O5,C6H6, has been determined by single-crystal X-ray diffraction at 298 K. Crystals are monoclinic, C2/c, a 7.258(4), b 19.530(7), c 17.027(11) Ǻ, β 93.59(3)°, Z 4. Both pigment and solvent molecules are located about crystallographic 2 axes; the pigment molecule is considerably distorted as a result of interaction between substituent chlorine atoms on adjacent rings.

Crystal structure of 3,3a',5,5'-tetra-t-butyl-2'-(3,5-di-t-butyl-4-hydroxyphenyl)-7'-[l -(3,5-di-t-butyl-4-hydroxypheny1)ethy1idene]-3a',4',7',7a'-tetrahydrospiro-[cyclohexa-2,5-diene-1,1 '-[1H]indene]-4,4'-dione

1980 ◽  
Vol 33 (2) ◽  
pp. 295
Author(s):  
SR Hall ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Solvent Molecules

The crystal structure of the title compound, C60H86O4, has been determined at 295 K by single-crystal X-ray diffraction and refined by least squares to a residual of 0.073 for 3399 'observed' reflections. Crystals are monoclinic, P21/n, a 18.999(10), b 12.149(7), c 27.589(10) Ǻ, β 107.32(6)°, Z 4. The compound is solvated with ether to the extent of about two solvent molecules per unit cell.

Crystal structure of Hexakis(urea)chromium(III) hexacyanochromate(III) Bis(dimethyl sulfoxide) bis(ethano/)

1984 ◽  
Vol 37 (2) ◽  
pp. 265 ◽  
Author(s):  
BN Figgis ◽  
ES Kucharski ◽  
JM Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Study ◽  
Dimethyl Sulfoxide ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Solvent Molecules

The crystal structure of the title compound, [Cr(OC(NH2)2)6] [Cr(CN)6].2(CH3)2SO.2CH3CH2OH, has been determined from a single-crystal X-ray diffraction study at 295(1) K. It was refined by least-squares methods to a residual of 0.039 for 4203 independent 'observed' reflections. Crystals are monoclinic, P21/n, a 17.449(6), b 10.315(4), c 11.726(3) �, β 102.51(2)�, Z 2. Both chromium atoms lie on crystallographic centres of symmetry. Cr-O(urea) are 1.960(2),1.962(2), 1.982(1) � and Cr-C(cyanide) 2.074(2), 2.080(2), 2.081(2) �; the geometries of the ligands and solvent molecules are correspondingly precise.

The first proof of protonated anion tetrahedra in the tsumcorite-type compounds

2004 ◽  
Vol 68 (5) ◽  
pp. 757-767 ◽  
Author(s):  
T. Mihajlović ◽  
H. Effenberger
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Synthesis ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Synthetic Compounds ◽  
X Ray

AbstractHydrothermal synthesis produced the new compound SrCo2(AsO4)(AsO3OH)(OH)(H2O). The compound belongs to the tsumcorite group (natural and synthetic compounds with the general formula M(1)M(2)2(XO4)2(H2O,OH)2; M(1)1+,2+,3+ = Na, K, Rb, Ag, NH4, Ca, Pb, Bi, Tl; M(2)2+,3+ = Al, Mn3+, Fe3+, Co, Ni, Cu, Zn; and X5+,6+ = P, As, V, S, Se, Mo). It represents (1) the first Sr member, (2) the until now unknown [7]-coordination for the M(1) position, (3) the first proof of (partially) protonated arsenate groups in this group of compounds, and (4) a new structure variant.The crystal structure of the title compound was determined using single-crystal X-ray diffraction data. The compound is monoclinic, space group P21/a, with a = 9.139(2), b = 12.829(3), c = 7.522(2) Å, β = 114.33(3)°, V = 803.6(3) Å3, Z = 4 [wR2 = 0.065 for 3530 unique reflections]. The hydrogen atoms were located experimentally.

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 Calcium Picrate Pentahydrate: A New Eight-Coordinate Stereochemistry for [M(bidentate)2(unidentate)4]

1979 ◽  
Vol 32 (2) ◽  
pp. 301 ◽  
Author(s):  
V Diakiw ◽  
TW Hambley ◽  
DL Kepert ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Single Crystal ◽  
Title Compound ◽  
Lattice Site ◽  
The Other ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Triangular Face ◽  
X Ray

The crystal structure of the title compound, Ca(C6H2N307)2,5H2O, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.049 for 1513 'observed' reflections. Crystals are orthorhombic, Pmab, a 24.169(6), b l0.292(7), c 8.554(2) �, Z 4. The stereochemistry about the calcium has not been observed previously for the system [M(bidentate)2- (unidentate)4]; in the present structure, the calcium is coordinated by a pair of bidentate picrate ligands and the four water molecules in an array in which three of the water molecules occupy a triangular face of a square antiprism, the overall array having m symmetry. The remaining water molecule occupies a lattice site with no close interaction with the other species.

O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate: structural evidence of the decomposition product and its oxalate salt

2019 ◽  
Vol 234 (9) ◽  
pp. 613-621
Author(s):  
Marc André Althoff ◽  
Jörn Frederik Martens ◽  
Marco Reichel ◽  
Manfred Metzulat ◽  
Thomas Matthias Klapötke ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Analytical Methods ◽  
Decomposition Product ◽  
X Ray Diffraction ◽  
X Ray ◽  
Rearrangement Process ◽  
Study Support ◽  
First Time

Abstract The molecular and single crystal structure of O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate oxalate, as determined by single crystal X-ray diffraction studies, is described for the first time; although this compound is well-known by industry and research from the mid-20th century. The known decomposition product of pure O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate could also be structurally characterized. Additionally, the compounds are characterized by recent analytical methods e.g. NMR. The findings of our study support the thesis that the isolated decomposition product must be a by-product of the thiono-thiolo rearrangement process of the title compound.

The crystal structure of Tris(1,10-phenanthroline)osmium(II) Bis(perchlorate) monohydrate and its implications for electron-pair repulsion theory

1984 ◽  
Vol 37 (9) ◽  
pp. 1817 ◽  
Author(s):  
HA Goodwin ◽  
DL Kepert ◽  
JM Patrick ◽  
BW keltn ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Electron Pair ◽  
X Ray Diffraction ◽  
X Ray

The crystal structure of the title compound, [Os(phen)3](ClO4)2.c. 1H2O, has been determined by single-crystal X-ray diffraction methods at 295 K, being refined to a residual of 0.043 for 3477 'observed' independent reflections. Crystals are monoclinic, C2/c, a 35.94(2), b 16.020(5), c 12.370(5) �, β 102.38(3)�, Z 8, and are isostructural with the copper(II) analogue. Osmium-nitrogen distances range from 2.066(7) to 2,082(7) � (mean, 2.075 �). Departures of the stereochemistry of tris- (α, α'-diimine)metal systems from the expectations of electron-pair repulsion theory are examined.

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.

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.

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.

Sign in / Sign up

Export Citation Format

Share Document