The Crystal and Molecular Structure of (μ-Oxo)bis{chloro(methyl)thienyl- tellurium(IV)}

2001 ◽  
Vol 56 (2) ◽  
pp. 215-218 ◽  
Author(s):  
Raija Oilunkaniemi ◽  
Risto S. Laitinen ◽  
Markku Ahlgrén
Keyword(s):  
Molecular Structure ◽  
Coordination Sphere ◽  
Crystal And Molecular Structure ◽  
Tellurium Atom ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Regular Octahedron ◽  
Oxygen Atoms

Abstract The formation and the crystal and molecular structure of (μ-oxo)bis{chloro(methyl)thienyl-tellurium(IV)}, [Me(Th)TeCl]20 , are described. The compound is orthorhombic, space group Pbcn, a = 1893.30(2), b = 891.96(2), c = 966.24(5) pm; Z =4. The tellurium atom shows trigonal bi-pyramidal coordination with chlorine and the bridging oxygen atoms in axial, and methyl and thienyl groups in equatorial positions. The two close intermolecular Te(1) ···Cl(1) contacts ex­pand the coordination sphere around tellurium to an almost regular octahedron.

Crystal and molecular structure of di-o-anisylketone

1985 ◽  
Vol 63 (12) ◽  
pp. 3374-3377 ◽  
Author(s):  
C. Faerman ◽  
S. C. Nyburg ◽  
G. Punte ◽  
B. E. Rivero ◽  
A. A. Vitale ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Twist Conformation ◽  
Oxygen Atoms

The crystal and molecular structure of the title compound, C15H14O3, is described. Crystals are monoclinic, space group P21/n, a = 9.893(5), b = 10.719(5), c = 12.136(3) Å, β = 90.56(3)°. The molecule has a twist conformation and interactions between oxygen atoms of the methoxyl groups are thought to play some part in this.

Polysulfonylamine, CIII [1] Ein Hydroxylamin mit bemerkenswert kurzer O-N-B Bindung: Kristall- und Molekülstruktur von MeO-N(SO2Me)2 / Polysulfonylamines, C III [1] A Hydroxylamine with a Remarkably Short O-N Bond: Crystal and Molecular Structure of MeO-N(SO2Me)2

1998 ◽  
Vol 53 (5-6) ◽  
pp. 634-636 ◽  
Author(s):  
Martina Näveke ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Low Temperature ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Angles

Abstract The crystal structure of the known title compound was determined by low-temperature X-ray diffraction (orthorhombic, space group Pbcn, Z = 4). The molecule displays an unusually short O-N bond, a relatively long C-O bond and a moderately pyramidal O-NS2 skeleton (O-N 133.1, C-O 148.5 pm, sum of bond angles at N: 347.4°).

Crystal and Molecular Structure of 1,11-bis(Tropolone)-3,6,9-trioxaundecane · RbI

1980 ◽  
Vol 35 (12) ◽  
pp. 1533-1537 ◽  
Author(s):  
K. K. Chacko ◽  
W. Saenger
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Type Structure ◽  
The Other ◽  
Space Group ◽  
X Ray ◽  
Circular Structure ◽  
Cell Dimensions ◽  
Oxygen Atoms

Abstract The complex between the polyether ligand 1,11-bis(tropolone)-3,6,9-trioxaundecane and RbI crystallizes in space group P21/c with cell dimensions a = 11.383(4), b = 14.493(5), c = 16.122(6) Å and β = 111.02(5)° with Z = 4. The structure was solved on the basis of 3734 X-ray reflections measured on a diffractometer with CuKα-radiation and refined to an R of 0.101. The polyether wraps around the Rb+ in a circular structure. One of the tropolone rings is elevated in order to avoid collision. Rb+ is located 1.224(6) Å above the plane formed by five oxygen atoms of the ligand, it is coordinated to I -(3.666(2)Å) and to all oxygens. The Rb+ ··· O distances of the least electronegative “ester oxygens”, 3.14(1) Å and 3.18(1) Å are significantly longer compared to the other Rb+···O distances in the range 2.81(1) Å to 3.08(1) Å. The conformation about the C-C and C-O bonds of the ligand are gauche and trans as generally found in such molecules. The two tropolone seven-membered rings are slightly non-planar and display an envelope-type structure.

Polylithiation of Small Molecules. Synthesis and Structure of the Functional Lithium Phosphide [Li(TMEDA)]2[PhPCMe2 C5H4]

2000 ◽  
Vol 55 (10) ◽  
pp. 895-900 ◽  
Author(s):  
Ulrich Jürgen Bildmann ◽  
Gerhard Müller
Keyword(s):  
Molecular Structure ◽  
Small Molecules ◽  
Crystal And Molecular Structure ◽  
Orthorhombic Space Group ◽  
Space Group

AbstractLithium Phosphides, Cyclopentadienides Treatment of 6,6-dimethylfulvene with LiPHPh in hexane/TMEDA (TMEDA = N,N,N′,N′- tetramethylethylenediamine) affords the monolithiated phosphinomethyl cyclopentadienide [Li(TMEDA)][PhHPCMe2C5H4] (1). Further reaction with LinBu in diethylether/TMEDA leads to the formation of the doubly lithiated phosphidomethyl cyclopentadienide [Li(TMEDA)]2[PhPCMe2C5H4] (2) whose crystal and molecular structure was determined (orthorhombic, space group P212121, a = 9.579(4), b = 12.788(2), c = 24.108(6) Å, Z = 4)

Molekül- und Kristallstruktur des 5-p-Fluorphenyl-2.4.6-trimethylcyclo-1.3-dioxa-2.4.6-triborans / Crystal and Molecular Structure of 5-p-Fluorophenvl-2,4.6-trimethylcyclo-l,3-dioxa-2.4,6-triborane

1982 ◽  
Vol 37 (12) ◽  
pp. 1504-1506 ◽  
Author(s):  
Anton Melier ◽  
Carl Habben ◽  
Mathias Noltemeyer ◽  
George M. Sheldrick
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Heterocyclic Ring ◽  
Mirror Plane ◽  
Orthorhombic Space Group ◽  
Space Group

The title compound, isolated from the reaction of p-fluorophenyl-N-sulfinylamine with 3,5-dimethyl-1,2,4-trithia-3,5-diborolane, crystallizes in the orthorhombic space group Prima wit a = 736.2(2), b = 1256.6(2), c = 1330.6(2) pm and Z = 4. The heterocyclic ring lies in a crystallographic mirror plane, with the para-fluorophenyl substituent at right angles to the plane

Die Kristall- und Molekülstruktur von Lithiumtrifluormethansulfonat Li[SO3CF3] · (THF) / The Crystal and Molecular Structure of Lithiumtrifluoromethanesulphonate Li[SO3CF3] · (THF)

1990 ◽  
Vol 45 (9) ◽  
pp. 1304-1308 ◽  
Author(s):  
H. Schumann ◽  
J. A. Meese-Marktscheffel ◽  
J. Loebel
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
R Value ◽  
Oxygen Atoms

The title compound 1 crystallizes in the monoclinic space group P21/c with a = 1023.4(1), b = 985.4(1), c = 1915.3(4) pm, β = 97.73(1)°, V = 1914.9·10-30 m3 and Z = 8. The X-ray structure was solved from 1977 observed reflections with I > 6σ(I) and refined to a final R value of 0.044. The structure shows Li tetracoordinated by one THF-oxygen and by three oxygen atoms each belonging to a different SO3CF3 group.

Synthese und Kristallstruktur von Triphenylmethylphosphoniumtriiodid [P(C6H5)3CH3]I3 / Synthesis and Crystal Structure of [P(C6H5)3CH3]I3

1991 ◽  
Vol 46 (6) ◽  
pp. 703-708 ◽  
Author(s):  
Mervat El Essawi ◽  
Sawsan Abd El Khalik ◽  
H. J. Berthold ◽  
R. Wartchow
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Orthorhombic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Anion Layer ◽  
Deep Violet

Triphenylmethylphosphonium triiodide [P(C6H5)3CH3]I3 has been prepared by the reaction of [P(C6H5)3CH3]I with iodine in ethanol. Deep violet crystals were obtained by recrystallization from dichloromethane.The crystal and molecular structure of the compound has been determined. The crystals are orthorhombic, space group Pbca, Z = 8, a = 1182.2(2), b = 1987.6(3), c = 1798.8(3) pm.Least squares refinement of the structure yielded R = 0.038 (Rw = 0.030, RG = 0.030) for 2433 independent reflections.The triodide ion I3- is slightly asymmetrical and slightly bent. The distances are 293.7(1) pm (I(1)—I(2)) and 291.7(1) pm (I(2)—I(3)), the angle I(1)—I(2)—I(3) is 179.3(1)°.The structure contains layers perpendicular to the c axis, which follow each other with a period of c/2 and are built up by I3- anions and [P(C6H5)3CH3]+ cations. They are stacked to give layers of cations and layers of anions perpendicular to the b axis. The shortest I ··· I distance between I3- ions in the anion layer occurs in the c direction. It amounts to 414 pm, thus indicating that there are only very weak I ··· I interactions between the I3- ions. Further I ··· I contacts in the layer lie between 510 and 746 pm.

The crystal and molecular structure of endo-7-hydroxy-2,4-dioxa-3-oxobicyclo[3.3.1]nonane

1984 ◽  
Vol 62 (7) ◽  
pp. 1271-1274 ◽  
Author(s):  
Winnie Wong-Ng ◽  
Stanley C. Nyburg
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Intermolecular Hydrogen Bond ◽  
Hydroxyl Group ◽  
Orthorhombic Space Group ◽  
Space Group

The crystal and molecular structure of the title compound are described. Crystals are orthorhombic, space group Pna21, a = 10.977(3), b = 6.489(2), c = 9.811(2) Å, Z = four molecules per cell. Atom C(4), to which the hydroxyl group is attached, appears to have been moved outwards (away from hydroxyl). This resembles similar movements in chair–chair bicyclo[3.3.1]nonanes where intramolecular repulsion is thought to be responsible. In the present molecule, however, the more likely cause is the presence of an intermolecular hydrogen bond.

Synthesis and conformational analysis of 2-arylseleno-1,3-dithianes. Crystal and molecular structure of 2-(4-methoxyphenylseleno)- and 2-(4-trifluoromethylphenylseleno)-1,3-dithiane

1986 ◽  
Vol 64 (4) ◽  
pp. 732-738 ◽  
Author(s):  
B. Mario Pinto ◽  
Jesus Sandoval-Ramirez ◽  
R. Dev Sharma ◽  
Anthony C. Willis ◽  
Frederick W. B. Einstein
Keyword(s):  
Molecular Structure ◽  
Nuclear Magnetic Resonance ◽  
Crystal And Molecular Structure ◽  
Chair Conformation ◽  
Axial Orientation ◽  
Monoclinic Space Group ◽  
Crystallographic Investigation ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

The synthesis of 2-(4-methoxyphenylseleno)-1,3-dithiane 3 and 2-(4-trifluoromethylphenylseleno)-1,3-dithiane 5 from 2-chloro-1,3-dithiane 1 and the corresponding sodium arylselenolates is described. Nuclear magnetic resonance spectroscopic investigation of the products indicates that the compounds exist predominantly in a conformation in which the arylseleno moiety adopts an axial orientation. X-ray crystallographic investigation indicates that the 1,3-dithiane ring exists in the chair conformation with the arylseleno moiety in the axial orientation. Compound 3 is orthorhombic, space group P212121 with a = 5.449(2) Å, b = 9.217(2) Å, c = 24.860(3) Å, V = 1248.5 Å3, Z = 4. The structure was refined to R = 0.038 for 689 reflections with I > 2.3σ(I). Compound 5 is monoclinic, space group C2/c, with a = 28.628(7) Å, b = 5.246(2) Å, c = 21.342(5) Å, β = 121.12(1)°, V = 2743.8 Å3, Z = 8. Its structure refined to R = 0.064 for 966 reflections with I > 2.3σ(I).

Crystal and molecular structure of two C-phenyl pentitol derivatives

1978 ◽  
Vol 56 (23) ◽  
pp. 2915-2921 ◽  
Author(s):  
Douglas C. Rohrer ◽  
Jean-Claude Fischer ◽  
Derek Horton ◽  
Wolfgang Weckerle
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Coupling Constants ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Dimensions ◽  
Palladium Catalyzed ◽  
Discrepancy Index

Grignard addition of phenylmagnesium bromide to 3,5-O-benzylidene-1-deoxy-D-erythro-2-pentulose (1) affords C-phenyl branched-chain pentitols having exclusively either the D-arabino (2) or D-ribo (5) stereochemistry according to the mode of substitution of 1. In order to determine the chirality of these products conclusively, the crystal and molecular structure of the unsubstituted pentitol 6 (from 2) has been determined. Crystals of 1-deoxy-2-C-phenyl-D-arabinitol (6; C11H16O4) are orthorhombic, space group P212121, with cell dimensions a = 8.9420(6), b = 18.910(1), c = 6.4263(6) Å, and Z = 4. The structure was solved by multi-solution direct methods and refined to a final discrepancy index of 5.6%. The molecule has an extended, planar zigzag conformation with the phenyl ring nearly perpendicular to this plane. Compound 6 forms one intramolecular (between 2-OH and O-4) and three intermolecular hydrogen bonds. Palladium-catalyzed hydrogenolysis of the 2-phenylcarbamate of 2 results in deoxygenation of the benzylic center with complete-inversion of configuration, as established by crystal-structure determination of the product 7. Crystals of 2(S)-4-O-acetyl-3,5-O-benzylidene-1,2-dideoxy-2-C-phenyl-D-erytro-pentitol (7; C20H22O4) are monoclinic, space group C2, with cell dimensions a = 19.102(1), b = 6.1925(5), c = 16.098(1) Å, β = 108.325(9)°, and Z = 4. The structure was solved by multi-solution direct methods and refined to a final discrepancy index of 5.9%. The molecule has an almost ideal planar, zigzag backbone conformation which incorporates the 1,3-dioxane ring. Comparison of the conformation observed in the crystal with that calculated from proton–proton coupling constants shows good agreement

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