scholarly journals μ-Methylene-bis[dibromido(diethyl ether-κO)aluminium(III)]: crystal structure and chemical exchange in solution

2021 ◽  
Vol 77 (6) ◽  
pp. 647-652
Author(s):  
Ray J. Butcher ◽  
Andrew P. Purdy
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Oxygen Atom ◽  
Diethyl Ether ◽  
Title Compound ◽  
Chemical Exchange ◽  
Twofold Axis ◽  
Nmr Data ◽  
Bromide Ions ◽  
Axis Passing

In the title compound, [Al2Br4(CH2)(C4H10O)2], the molecule lies on a crystallographic twofold axis passing through the bridging C atom. Each AlIII atom is four-coordinate, being bonded to two bromide ions, bridging the CH2 group as well as the oxygen atom of a diethyl ether ligand in a slightly distorted tetrahedral arrangement with angles ranging from 101.52 (8) to 116.44 (5)°. The Al—CH2—Al angle, 118.4 (2)°, is the smallest observed for a structure where this moiety is not part of a ring. In the crystal, weak C—H...Br interactions, characterized as R 2 2(12) rings, link the molecules into ribbons in the [101] direction. The title compound is monomeric and coordinatively saturated in the solid state, as each aluminum is four-coordinate, but in solution the ether molecules from either or both Al atoms can dissociate, and would be expected to rapidly exchange, and this is supported by NMR data.

Crystal structure and electronic spectrum for Bis(O-ethylxanthato)pyridinezinc(II)

1976 ◽  
Vol 29 (4) ◽  
pp. 731 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
G Winter
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Electronic Spectrum ◽  
Title Compound ◽  
Pyridine Ring ◽  
Zinc Atom ◽  
Full Matrix ◽  
X Ray ◽  
Twofold Axis ◽  
Axis Passing

The crystal structure of the title compound [Zn(C5H5N)(CS2OEt)2] has been determined from X-ray diffractometer data at 295 K and refined by full-matrix least squares to a residual of 0.061 for 1100 'observed' reflections. Crystals are monoclinic A2/a, a = 14.001(5), b = 8.911(2), c = 13.731(6) � ,β = 104.80(3)�, Z = 4. The molecule lies on a twofold axis passing through the N-coordinated pyridine ring. The zinc atom is coordinated by the pyridine [Zn-N, 2.03(l) �] and a pair of symmetry related asymmetric ethylxanthate chelates [Zn-S, 2.748(3), 2.294(3)&.The electronic spectrum of the complex has been studied in a variety of basic solvents and the spectra rationalized in terms of the observed structure.

Structural characterization of Cd3(O3PC2H4CO2)2·2H2O from in-house X-ray powder data and NMR

2005 ◽  
Vol 61 (6) ◽  
pp. 669-674 ◽  
Author(s):  
Naima Bestaoui ◽  
Xiang Ouyang ◽  
Florence Fredoueil ◽  
Bruno Bujoli ◽  
Abraham Clearfield
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Structural Characterization ◽  
Title Compound ◽  
Solid State Nmr ◽  
Hydrothermal Reaction ◽  
X Ray ◽  
Space Groups ◽  
Nmr Data

The title compound poly[[bis(μ-2-carboxylatoethylphosphonato)cadmium] dihydrate], Cd3(O3PC2H4CO2)2·2H2O, was prepared by a hydrothermal reaction and its crystal structure determined from in-house powder data. The structure was solved in both P21/c and P21 space groups. The refinement converged with Rp = 0.1046, R wp = 0.1378 and Rf = 0.0763 in P21/c. However, the solid-state NMR data could not be explained. The structure was then solved in P21 and the refinement converged with Rp = 0.0750, R wp = 0.1022 and Rf = 0.0409 and satisfied the NMR requirements.

1,4-Bis(3,4-dicyanophenoxy)-2-butyne

2006 ◽  
Vol 62 (5) ◽  
pp. o1989-o1990
Author(s):  
Yavuz Köysal ◽  
Ayşen Ağar ◽  
Nesuhi Akdemir ◽  
Şamil Işık
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Triple Bond ◽  
Twofold Axis ◽  
Compound C ◽  
Axis Passing

In the crystal structure of the title compound, C20H10N4O2, the molecule is arranged around a twofold axis passing through the mid-point of the C[triple-bond]C triple bond. The dicyanophenoxy group is planar. The molecule is stabilized by intermolecular C—H...N hydrogen bonding.

scholarly journals Structural Investigations of C-Nitrosobenzenes. Part 3.1 Solid-state and Solution 13C NMR Studies, and Crystal Structure of E-(4-CIC6H4NO)2

1999 ◽  
Vol 23 (3) ◽  
pp. 202-203
Author(s):  
Daniel A. Fletcher ◽  
Brian G. Gowenlock ◽  
Keith G. Orrell ◽  
David C. Apperley ◽  
Michael B. Hursthouse ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
13C Nmr ◽  
Nmr Studies ◽  
Structural Investigations ◽  
Nmr Data ◽  
C Nmr

Solid-state and solution 13C NMR data for the monomers and dimers of 3- and 4-substituted nitrosobenzenes, and the crystal structure of E-(4-CIC6H4NO)2 are reported.

scholarly journals β-Li0.37Na0.63Fe(MoO4)2

2014 ◽  
Vol 70 (2) ◽  
pp. i9-i10 ◽  
Author(s):  
Amira Souilem ◽  
Mohamed Faouzi Zid ◽  
Ahmed Driss
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Solid State Reaction ◽  
Title Compound ◽  
General Position ◽  
Site Occupancy ◽  
The Other ◽  
Main Structure ◽  
Axis Direction ◽  
A Site

The title compound, lithium/sodium iron(III) bis[orthomolybdate(VI)], was obtained by a solid-state reaction. The main structure units are an FeO6octahedron, a distorted MoO6octahedron and an MoO4tetrahedron sharing corners. The crystal structure is composed of infinite double MoFeO11chains along theb-axis direction linked by corner-sharing to MoO4tetrahedra so as to form Fe2Mo3O19ribbons. The cohesion between ribbonsviamixed Mo—O—Fe bridges leads to layers arranged parallel to thebcplane. Adjacent layers are linked by corners shared between MoO4tetrahedra of one layer and FeO6octahedra of the other layer. The Na+and Li+ions partially occupy the same general position, with a site-occupancy ratio of 0.631 (9):0.369 (1). A comparison is made withAFe(MoO4)2(A= Li, Na, K and Cs) structures.

catena-Poly[[dibutyltin(IV)]-μ-3,4,5,6-tetrafluorobenzene-1,2-dicarboxylato-κ4 O 1,O 1′:O 2,O 2′]

2007 ◽  
Vol 63 (3) ◽  
pp. m776-m777 ◽  
Author(s):  
Yawen Han ◽  
Rufen Zhang ◽  
Daqi Wang
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Structure Determination ◽  
Title Compound ◽  
Crystal Structure Determination ◽  
Polymeric Chain

The crystal structure determination of the title compound, [Sn(C4H9)2(C8F4O4)] n , revealed an infinite polymeric chain in the solid state. The Sn atom is in a distorted sixfold coordination between bicapped tetrahedral and skew-bipyramidal.

scholarly journals 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione

IUCrData ◽  
2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Jayaraman Selvakumar ◽  
Kuppuswamy Arumugam
Keyword(s):  
Crystal Structure ◽  
Molecular Weight ◽  
Solid State ◽  
Structural Analysis ◽  
Hydrogen Bonds ◽  
Cell Volume ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Density Peaks ◽  
Solvent Molecules

The solid-state structural analysis of the title compound [systematic name: 5,11-disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,8-dione], C44H44N4O2S2 [+solvent], reveals that the molecule crystallizes in a highly symmetric cubic space group so that one quarter of the molecule is crystallographically unique, the molecule lying on special positions (two mirror planes, two twofold axes and a center of inversion). The crystal structure exhibits large cavities of 193 Å3 accounting for 7.3% of the total unit-cell volume. These cavities contain residual density peaks but it was not possible to unambiguously identify the solvent therein. The contribution of the disordered solvent molecules to the scattering was removed using a solvent mask and is not included in the reported molecular weight. No classical hydrogen bonds are observed between the main molecules.

Structure and stereochemistry in 'f-block' complexes of high coordination number. VII. The [M(unidentate X)2(unidentate Y)6] system: Crystal structure of hexaaquadichloroeuropium(III) chloride (a redetermination)

1983 ◽  
Vol 36 (3) ◽  
pp. 477 ◽  
Author(s):  
DL Kepert ◽  
JM Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Coordination Number ◽  
Title Compound ◽  
Chlorine Atoms ◽  
Coordination Environment ◽  
Twofold Axis ◽  
High Coordination Number ◽  
Europium Atom ◽  
High Coordination

The crystal structure of the title compound [EuCl2(OH2)2]Cl ('europium trichloride hexahydrate') has been redetermined from single-crystal diffractometer data at 295 K and refined to a residual of 0.040 for 1094 independent 'observed' reflections. Crystals are monoclinic, P2/n, a 9.659(3), b 6.529(2), c 7.936(4) �, β 93.67(4)�, Z 2. The europium atom lies on a crystallographic twofold axis, which passes between the two planes of a square-antiprismatic coordination environment in which the two chlorine atoms, on opposite faces, lie cis to each other. Eu-O distances range from 2.401(6) to 2.431(5) �; Eu-Cl is 2.774(2) �.

scholarly journals Crystal structure of (1E,1′E)-N,N′-(ethane-1,2-diyl)bis[(pyridin-2-yl)methanimine]

2015 ◽  
Vol 71 (6) ◽  
pp. o431-o431 ◽  
Author(s):  
Muneer Abdoh ◽  
Ismail Warad ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
Rachid Salghi
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Rotation Symmetry ◽  
Twofold Axis ◽  
Compound C

The whole molecule of the title compound, C14H14N4, is generated by twofold rotation symmetry. The twofold axis bisects the central –CH2-CH2– bond and the planes of the pyridine rings are inclined to one another by 65.60 (7)°. In the crystal, there are no significant intermolecular interactions present.

Darstellung und Kristallstruktur von [(Me3Si)2CH(i-Pr)InCl]2 / Synthesis and Crystal Structure of [(Me3Si)2CH(i-Pr)InCl]2

1991 ◽  
Vol 46 (11) ◽  
pp. 1539-1543 ◽  
Author(s):  
Bernhard Neumüller
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Solid State ◽  
Title Compound ◽  
Unit Cell ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Cell Parameters

The title compound 1 has been prepared by the reaction of i-PrInCl2 with LiCH(SiMe3)2 in diethylether at -30 °C. The colorless substance 1 was characterized by NMR, IR, and RE spectroscopy, as well as by mass spectrometry. 1 is dimer in solution and the solid state and crystallizes in the space group P21/c with the cell parameters a = 1206.4(3) pm, b = 905.7(2) pm, c = 1591.2(5) pm, and β = 101.18(2)°. The unit cell contains two centrosymmetrical dimeric molecules.

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