Dodecamethyl Bisimidotriphosphoramide (TRIPA), Part III [1, 2] The Crystal and Molecular Structure of TRIPA · H2O

1980 ◽  
Vol 35 (10) ◽  
pp. 1203-1206 ◽  
Author(s):  
Johannes C. P. M. Lapidaire ◽  
Anthoni J. De Kok
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Crystal And Molecular Structure ◽  
Van Der Waals ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray

Abstract The crystal and molecular structure of dodecamethyl bisimidotriphosphoramide mono-hydrate (TRIPA • H2O, C12H38N7O4P3) has been determined by single crystal X-ray diffraction techniques. The compound crystallises in the monoclinic system, space group P2i/n with a = 9.236(3), b = 14.016(4), c = 17.534(5) A, β = 97.32(4)°, Z = 4. The building units are dimers of TRIPA • H2O. These units are separated by normal van der Waals distances. The two molecules in the dimer are connected by four hydrogen bridges involving two water molecules. The nitrogen atoms display a nearly planar hybridisation.

Investigation of Isomer Formation of Triorganotin(IV) Complexes Involving Diorganophosphino-N-Phenyl(Thioformamide) Ligands: The Crystal and Molecular-Structure of [Diphenylphosphino-N-Phenyl(Thioformamido)]Triphenyltin, Ph3Sn[Ph2PC(S) NPh ]

1988 ◽  
Vol 41 (2) ◽  
pp. 195 ◽  
Author(s):  
D Dakternieks ◽  
BF Hoskins ◽  
CL Rolls
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Sulfur Atom ◽  
Crystal And Molecular Structure ◽  
Steric Effects ◽  
X Ray Diffraction ◽  
Similar Compound ◽  
Space Group ◽  
X Ray ◽  
Tetrahedral Environment

The isomer of Ph3Sn[Ph2PC(S) NPh] formed depends on the method of preparation. The crystal and molecular structure of the tin(IV) complex Ph3Sn[Ph2PC(S) NPh ] has been established by single-crystal X-ray diffraction techniques. The crystals are monolinic, space group P21/n, a 12.620(2), b 10.541(2), c 24.292(4)Ǻ, β 96.90(1) with Z 4; R and Rw were 0.031 and 0.034 respectively for 5632 unique reflections with I > 3σ(I). The crystals consist of discrete Ph3Sn[Ph2PC(S) NPh ] molecules. There is a tetrahedral environment about the tin atom formed by the three phenylic carbons and a sulfur atom of the [Ph2PC(S) NPh ]- ligand . Comparisons are made with the structurally similar compound Ph3Sn[(c-C6H11)2PC(S) NPh ]. On the basis of these comparisons and on earlier n.m.r . data, a favoured four-centered mechanism for insertion of dipolar PhNCS into the tin-phosphorus bond of Ph3SnPPh2 is inferred. Differences in reactivity of Ph2PC(S)N(H)Ph and (c-C6H11)2PC(S)N(H)Ph appear to result from electronic rather than steric effects.

The crystal and molecular structure of (±)-('E')-N-Acetylpiperidine-2-carboxylic acid

1980 ◽  
Vol 33 (1) ◽  
pp. 215 ◽  
Author(s):  
ID Rae ◽  
CL Raston ◽  
AH White
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Carboxylic Acid ◽  
Single Crystal ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal structure of N-acetylpiperidine-2-carboxylic acid has been determined by single-crystal X-ray diffraction methods at 295(1) K and refined by least squares to a residual of 0.039 for 846 'observed' reflections. Crystals are orthorhombic, with space group Pbca, a 13.684(6), b 11.602(4), c 11.171(4)Ǻ, Z 8. The ring is a chair structure in which, contrary to an earlier proposal based on 1H n.m.r. studies, there is almost perfect staggering about the C(2)-C(3) bond.

Crystal and molecular structure of 8-acetamido-2,4,4,8-tetramethyl-3-azaniumbicyclo[3.3.1]non-2-ene perchlorate

1987 ◽  
Vol 65 (9) ◽  
pp. 2000-2003 ◽  
Author(s):  
H. R. Viturro ◽  
B. E. Rivero ◽  
O. E. Piro ◽  
J. A. Caram ◽  
M. E. Martins ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Crystal And Molecular Structure ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Iminium Salt ◽  
Carbonium Ion ◽  
Single Crystal Analysis

X-ray single crystal analysis sheds further light on the structure of this new iminium salt. ATABNEP crystallizes in the monoclinic system, space group P21 and shows a very short value for the C—N distance in the iminium group, thus suggesting that the contribution of the carbonium ion form in this particular case is much lower than usual, a fact that can be considered a rationale for the reluctance of ATABNEP to undergo hydrolysis.

Crystal and Molecular Structure of cis-2,2',3',2"-Tetraacetoxy-1,1':4',1"-ternaphthyl

1996 ◽  
Vol 61 (5) ◽  
pp. 726-732
Author(s):  
Jaroslav Podlaha ◽  
Ivana Císařová ◽  
Martin Bělohradský ◽  
Jiří Závada
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Mean ◽  
Configuration And Conformation

The configuration and conformation of the title compound as a representative of conformationally locked ternaphthyls was determined by single-crystal X-ray diffraction. The arrangement of the mean planes of naphthyl and acetoxy groups results from intramolecular van der Waals forces.

Diazadien-Nickel-Komplexe, I: Bis(diazadien)-nickel(O) und Bromo-diazadien-nickel(I) / Diazadiene Nickel Complexes, I: Bis(diazadiene) Nickel(O) and Bromo-diazadiene Nickel(I)

1978 ◽  
Vol 33 (12) ◽  
pp. 1381-1385 ◽  
Author(s):  
Heindirk tom Dieck ◽  
Michael Svoboda ◽  
Jürgen Kopf
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Crystal And Molecular Structure ◽  
Nickel Complexes ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

Abstract Reduction of anhydrous nickel(II) compounds in the presence of diazadienes RN=CR'-CR' = NR, |(DAD), yields (DAD)2Ni(0). This complex 1 with R = CH(i-C3H7)2 is especially reactive and comproportionates with DADNiBr2 (2) to yield the bromobridged dimeric nickel(I) species (DADNiBr)2 (3). The crystal and molecular structure of 3 has been determined by single crystal X-ray diffraction: Space group Pbca with a = 1225.8(12), b = 1474.8(14) and c = 2167.4(22) pm; Ra = 0.076, 1034 reflections. Catalytic tetramerisation of substituted alkynes with 1 is discussed in view of the very easy formation of dimers 3.

The crystal and molecular structure of oxovanadium(V) orthophosphate dihydrate, VOPO4,2H2O

1981 ◽  
Vol 34 (10) ◽  
pp. 2035 ◽  
Author(s):  
HR Tietze
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Tetragonal Crystal ◽  
Oxygen Atoms

The structure of a tetragonal crystal of the title compound was determined by X-ray diffraction. The space group was found to be P4/nmm with a 6.202(2) and c 7.410(1) � and Z 2. The structure consists of infinite sheets of distorted VO6 octahedra and PO4 tetrahedra linked by shared oxygen atoms. Shared water molecules link these sheets together. A short V-O(4) bond, 1.567(5) �, indicates the presence of the cation VO3+.

scholarly journals Synthesis, characterization and single crystal X-ray analysis of azobenzene-4, 4′-dicarbonyl chloride

2018 ◽  
Vol 6 (2) ◽  
pp. 132-136
Author(s):  
Pramod Kumar Yadav
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Molecular Aggregation ◽  
X Ray Diffraction ◽  
Secondary Interaction ◽  
Triclinic Crystal System ◽  
X Ray

The title compound azobenzene-4, 4′-dicarbonyl chloride has been synthesized in distilled dichlomethane and characterized by elemental analysis (C, H, N), IR and NMR (1H & 13C) studies. The crystal and molecular structure was further confirmed using single crystal X-ray diffraction analysis. It was crystallized in triclinic crystal system with space group P-1. The centrosymmetrically related molecules held together via C–H---O secondary interaction result in molecular aggregation of the compound.  Int. J. Appl. Sci. Biotechnol. Vol 6(2): 132-136

Studies of the rhenium-oxygen bond. III. The crystal and molecular structure of 1-oxo-6-ethoxo-2,4-dichloro-3,5-dipyridinerhenium(V)

1977 ◽  
Vol 55 (2) ◽  
pp. 333-339 ◽  
Author(s):  
Colin James Lyne Lock ◽  
Graham Turner
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Dominant Factor ◽  
X Ray Diffraction ◽  
Rhenium Atom ◽  
Full Matrix ◽  
X Ray ◽  
Oxygen Bond

The crystal and molecular structure of the title compound has been examined by single crystal X-ray diffraction. The crystals are monoclinic with a = 28.045(10), b = 8.766(3), c = 12.376(5) Å, β = 91.14(3)°. The space group is C2/c and there are eight molecules per unit cell. A total of 5053 independent reflections, of which 2860 were observed, were examined on a Syntex [Formula: see text] diffractometer. The structure was refined by full matrix least squares to an R2 value of 0.0449. The ligands form a very rough octahedron around the rhenium atom with Re—Cl(1), 2.441(3); Re—Cl(2), 2.366(3), Re—O(1), 1.684(7); Re—O(2), 1.896(6); Re—N(1), 2.144(7); Re—N(2), 2.132(7) Å. The pyridine rings are a dominant factor in determining the details of the molecular structure.

The crystal structure of dibutyl-bis(pentamethylenedithiocarbamato)tin(IV)

1986 ◽  
Vol 51 (11) ◽  
pp. 2521-2527 ◽  
Author(s):  
Jan Lokaj ◽  
Eleonóra Kellö ◽  
Viktor Kettmann ◽  
Viktor Vrábel ◽  
Vladimír Rattay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Distorted Octahedron ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal and molecular structure of SnBu2(pmdtc)2 has been solved by X-ray diffraction methods and refined by a block-diagonal least-squares procedure to R = 0.083 for 895 observed reflections. Monoclinic, space group C2, a = 19.893(6), b = 7.773(8), c = 12.947(8) . 10-10 m, β = 129.07(5)°, Z = 2, C20H38N2S4Sn. Measured and calculated densities are Dm = 1.38(2), Dc = 1.36 Mg m-3. Sn atom, placed on the twofold axes, is coordinated with four S atoms in the distances Sn-S 2.966(6) and 2.476(3) . 10-10 m. Coordination polyhedron is a strongly distorted octahedron. Ligand S2CN is planar.

Structure and magnetism in a hydroxy bridged binuclear copper(II) system with a "tunable" binuclear centre

1983 ◽  
Vol 61 (3) ◽  
pp. 579-583 ◽  
Author(s):  
Laurence K. Thompson
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Coordination Geometry ◽  
Antiferromagnetic Exchange ◽  
X Ray Diffraction ◽  
Binuclear Copper ◽  
Space Group ◽  
X Ray ◽  
Oxygen Bridge ◽  
Copper Coordination

The molecular structure of [Cu2(PAP)(OH)(IO3)3]•4H2O (PAP = 1,4-di(2′-pyridyl)aminophthalazine) has been determined by single crystal X-ray diffraction. [Cu2(PAP)(OH)(IO3)3]•4H2O belongs to the space group P21/c with a = 7.266(1), b = 15.269(1), c = 25.870(1) Å, β = 96.40(I)°, V = 2852.2 Å3, Z = 4. The copper coordination geometry lies between a square pyramid and a trigonal bipyramid and the two copper(II) centres are bridged by three groups: N2 (phthalazine), hydroxide, and bidentate iodate, in a structure which is analogous to that reported for [Cu2(PAP)(OH)Cl3]•1.5H2O. Replacing the chlorine bridge by iodate has the effect of forcing the two metal centres further apart, thus creating a larger Cu—O—Cu bridge angle. This increase in oxygen bridge angle (101° to 114°) is also reflected in the enhanced antiferromagnetic exchange (−2J(Cl) = 201 cm−1, −2J(IO3) = 335 cm−1). Other groups of varying size (e.g. Br, NO3, SO4) can act as bridges between the two copper centres in systems of this sort with the resultant variation in copper–copper separation and oxygen bridge angle.

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