Enantiomerically pure Diels-Alder adducts of maleic anhydride to furfural acetals through thermodynamic control. Single crystal and molecular structure of (1S,4R,4′S,5′S)-1-(4′,5′-dimethyldioxolan-2′-yl)-5,6-dimethylidene-7-oxabicyclo[2.2.1]hept-2-ene

1996 ◽  
Vol 7 (11) ◽  
pp. 3153-3162 ◽  
Author(s):  
Antonio Guidi ◽  
Viviane Theurillat-Moritz ◽  
Pierre Vogel ◽  
A.Alan Pinkerton
Keyword(s):  
Molecular Structure ◽  
Maleic Anhydride ◽  
Single Crystal ◽  
Crystal And Molecular Structure ◽  
Diels Alder ◽  
Thermodynamic Control ◽  
Enantiomerically Pure

Crystal Structure of (NH4)2[Mo3S(S2)6] Containing the Novel Isolated Cluster [MO3S13]2-

1979 ◽  
Vol 34 (3) ◽  
pp. 434-436 ◽  
Author(s):  
A. Müller ◽  
S. Pohl ◽  
M. Dartmann ◽  
J. P. Cohen ◽  
J. M. Bennett ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Aqueous Solutions ◽  
Single Crystal ◽  
Ammonium Salt ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
The Novel ◽  
Mean Values ◽  
X Ray

Abstract The novel tri-nuclear metal-sulfur cluster [Mo3S(S2)6]2- can be obtained as its ammonium salt by the reaction of a Moiv containing aqueous solutions with polysulfide. Its crystal and molecular structure has been determined by a single crystal X-ray study. The crystals are monoclinic (space group Cm, with a = 11.577(6) Å, b = 16.448(7) Å, c = 5.716(2) Å, β = 117.30(3)°, V = 967.2 Å3 , Z = 2, dexptl. = 2.54(2) g/cm3 , dcal = 2.54 g/cm3). The structure consists of isolated [Mo3S(S2)6]2- units, with three Mo atoms at the vertices of a triangle. There are bridging as well as terminal S22--ligands lying above and below the Mo3-plane (bond distances: Mo-Mo = 2.722 Å, Mo-S(terminal) = 2.435, Mo-S(bridging) = 2.452, Mo3-S = 2.353(4) Å and S-S = 2.04 Å (mean values)).

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.

Einfache Synthese von 2,2-Diethoxy-2,5-dihydrofuranen, 2(5 H)Furanonen und 2-Ethoxy-furanen.Kristall-und Molekülstruktur eines Barrelenon Diels-Aider Produktes [1] / Convenient Synthesis of 2,2-Diethoxy-2,5-dihydrofurans, 2(5 H)Furanones and 2-Ethoxyfurans.Crystal and Molecular Structure of a Barrelenone Diels-Alder Product [1]

1994 ◽  
Vol 49 (3) ◽  
pp. 389-406 ◽  
Author(s):  
Rolf W. Saalfrank ◽  
Wieland Hafner ◽  
Joachim Markmann ◽  
Andreas Welch ◽  
Karl Peters ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Maleic Anhydride ◽  
Structure Analysis ◽  
Diels Alder ◽  
Dimethyl Acetylenedicarboxylate ◽  
Reaction Conditions ◽  
X Ray ◽  
Convenient Synthesis

AbstractReaction of 1,2-hydroxyketones 5 with (2,2-diethoxyvinylidene)triphenylphosphorane (2) or (2,2-diethoxyvinyl)triphenylphosphonium tetrafluoroborates 6 yields the 2,2-diethoxy- 2.5-dihydrofurans 9. Depending on the reaction conditions used, the orthoesters 9 can be hydrolized to give 2(5 H)furanones 10 and 2-ethoxyfurans 11, respectively. 4,5-Dimethyl- 5.6-dihydro-2-pyranone (20) and 8-methoxycoumarin (23) are prepared, starting from (2,2-diethoxyvinyl)triphenylphosphonium tetrafluoroborate (6 a) and 1-hydroxy-2-methyl- 3-butanone (16) or 2-hydroxy-3-methoxy-benzaldehyde (21). The 2-ethoxyfuranes 11 readily undergo Diels-Alder reactions with 2-chloracrylonitrile (24), maleic anhydride (26), N-phenyl-1,2,4-triazoline-3,5-dione (28) and dimethyl acetylenedicarboxylate (30) to give the corresponding Diels-Alder products 25, 27, 29 and 31, respectively. Contrary to 2-ethoxyfuran 11b , 11a reacts with two equivalents of acetylene 30, to yield barrelenone 34. The structure of 34 unequivocally is established by X-ray structure analysis.

The coordination of the dimethylthallium ion in the crystal and molecular structure of 1,10-phenanthroline-dimethylthallium (III) perchlorate

1972 ◽  
Vol 331 (1585) ◽  
pp. 161-169 ◽  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Crystal And Molecular Structure ◽  
Pentagonal Bipyramid ◽  
Equatorial Position ◽  
Polymeric Structure ◽  
X Ray

A single crystal X-ray analysis of the crystal structure of [TlMe 2 1,10-phen]ClO 4 confirms the presence of a bent dimethylthallium group with a C-Tl-C angle of 168.3 (1.5)°. The thallium coordination is best described as a distorted pentagonal bipyramid with one equatorial position vacant. The equatorial bonds are predominantly electrostatic, and the perchlorate ions are bidentate giving rise to a polymeric structure in the crystal.

The Crystal and Molecular Structure of Dinitrato(triphenylphosphine)mercury(II)

1974 ◽  
Vol 52 (2) ◽  
pp. 198-202 ◽  
Author(s):  
Simon H. Whitlow
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Crystal And Molecular Structure ◽  
Bond Distance ◽  
The Other ◽  
Tetrahedral Coordination ◽  
X Ray ◽  
R Factor ◽  
Computer Controlled ◽  
Distorted Tetrahedral Coordination

The structure of dinitrato(triphenylphosphine)mercury(II), Hg(N03)2.P(C6H5)3, has been determined from single–crystal X-ray data measured on a computer–controlled diffractometer. The crystals are monoclinic, have a unit cell of dimensions a = 10.39(1), b = 9.56(1), c = 19.44(2) Å, β = 94.3(1)°, which contains 4 molecules, and they belong to the space group, P21/c. The structure has been refined by least–squares methods from 2470 independent observed reflections to a conventional R-factor of 0.061. The Hg atom has a distorted tetrahedral coordination with Hg—O bond lengths of 2.190(8), 2.428(8), and 2.560(9) Å and an Hg—P bond distance of 2.359(3) Å. There are 2 distinct types of NO3 groups bonded to Hg. One is an unshared, unidentate ligand and the other acts as a bridging group joining 2 Hg atoms. Chains of—Hg—NO3—Hg—atoms are formed which follow crystallographic two-fold screw axes in the b-direction.

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