Reaction products of benzimidazole with tetracyanoethylene. Mechanism of formation and13C NMR spectroscopy of the anions C16N8H5–, dicyano(3,4-dicyano-5-benzimidazol-1-yl-2H-pyrrol-2-ylideneamino)methanide (1) and C18N9H4–, 1,2,4,5-tetracyano-3,6,7,12,13-penta-aza-5H-indeno[1,2-d]-acenaphthylen-5-ide (2). Crystal and molecular structure of their tetraphenylarsonium salts

1990 ◽  
pp. 1359-1364 ◽  
Author(s):  
Mario Bonamico ◽  
Vincenzo Fares ◽  
Alberto Flamini ◽  
Patrizia Imperatori ◽  
Nicola Poli
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Crystal And Molecular Structure ◽  
Reaction Products ◽  
Mechanism Of Formation

Chrom(0)-und Molybdän(0)-Komplexe von 11-Isopropyliden-bicyclo[4.4.1]undeca-2,4,8-trienen / Chromium(0) and Molybdenum(0) Complexes of 11-Isopropylidene-bicyclo[4.4. 1]undeca-2,4,8-trienes

1986 ◽  
Vol 41 (6) ◽  
pp. 722-730 ◽  
Author(s):  
Cornelius G. Kreiter ◽  
Eduard Michels ◽  
Jürgen Kaub
Keyword(s):  
Molecular Structure ◽  
Double Bond ◽  
Nmr Spectroscopy ◽  
Transition Metals ◽  
Crystal And Molecular Structure ◽  
Double Bonds ◽  
Conjugated Diene ◽  
X Ray ◽  
Ir And Nmr Spectroscopy ◽  
Elemental Analyses

11-Isopropylidene-bicyclo[4.4.1]undeca-2,4,8-triene (IBU, 1A) and five alkyl substituted de­rivatives (1B-1F) contain a conjugated diene unit and two isolated CC-double bonds, one exocyclic and one incorporated into the bicvclus, each suited for complexation to transition metals. With [Cr(CO)3(CH3CN)3] (2) 1A-1F form [Cr(CO)3(η6-IBU)] complexes (3A−3F). in which the IBU ligands are coordinated to the chromium via the diene unit and the exocyclic CC-double bond. The corresponding [Mo(CO)3(η6-IBU)] complexes (5A−5F) are obtained from the reactions of [Mo(CO)3(diglyme)] (4) with 1A−1F. In addition, the isomeric [Mo(CO)3(η6-IBU)] complexes (6A−6D) are formed, in which the IBU ligands are bound to molybdenum via the three cyclic CC-double bonds. The complexes 3A−3F, 5A−5F and 6A−6D were studied by IR and NMR spectroscopy (1H. 13C) and characterized by C, H elemental analyses. The crystal and molecular structure of 1A was determined by X-ray structure analysis.

Nitrones and oximes of bifunctional carbonyl compounds and their reaction products with diarylborinic acids. Crystal and molecular structure of examples of five-, six-, and seven-membered boron chelates

2000 ◽  
Vol 78 (10) ◽  
pp. 1325-1344
Author(s):  
Wolfgang Kliegel ◽  
Gottfried Lubkowitz ◽  
Jens O Pokriefke ◽  
Steven J Rettig ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Carbonyl Compounds ◽  
Spectroscopic Data ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Reaction Products ◽  
Boron Chelates ◽  
Full Matrix ◽  
Space Group ◽  
X Ray

Synthesis has been carried out of diarylboron chelates of 2- and 3-hydroxynitrones, of 2- and 3-hydroxyoximes, and of 2-carboxynitrones and a 2-carboxyoxime. The structures have been determined from spectroscopic data and from X-ray analyses of 5d, 9a, 11b, and 19. Crystals (at 180 K) of 5d are monoclinic, a = 10.543(2), b = 19.085(4), c = 10.2667(3) Å, β = 90.4978(7)°, Z = 4, space group P21/c; those of 9a are orthorhombic, a = 10.9913(5), b = 14.9329(7), c = 10.2460(13) Å, Z = 4, space group P212121; those of 11b are monoclinic, a = 11.227(2), b = 9.967(2), c = 17.0537(4) Å, β = 105.4179(5)°, Z = 4, space group P21/n; those of 19 are monoclinic, a = 11.1847(15), b = 13.715(3), c = 11.5559(5) Å, β = 104.8730(10)°, Z = 4, space group P21/n. The structures were solved by direct methods and refined by full-matrix least-squares procedures to R(F, I [Formula: see text] 3σ(I)) = 0.049, 0.047, 0.042, and 0.047, respectively, for CCD data for 5d, 9a, 11b, and 19. The four molecules contain five-, seven-, six-, and five-membered rings, respectively, with O-B-N groups in the 5d, 11b, and 19, and O-B-O in 9a; the rings exhibit various deviations from planarity, particularly the seven-membered ring.Key words: diarylboron chelates, hydroxyoximes, hydroxynitrones, carboxyoximes, carboxynitrones, organoboron compounds, crystal structure.

Aromatic propellenes. Part 1. NMR spectroscopy, X-ray crystal and molecular structure of hexa(3,5-dimethylpyrazol-1-yl)benzene

1995 ◽  
pp. 1359 ◽  
Author(s):  
Concepci�n Foces-Foces ◽  
Antonio L. Llamas-Saiz ◽  
Rosa Ma Claramunt ◽  
Nadine Jagerovic ◽  
Mar�a Luisa Jimeno ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Crystal And Molecular Structure ◽  
X Ray

Reaktionsprodukte yon Oxylsäuremethylester-N-methylamiden mit Antimon(V)-chlorid. Molekülspektren und Struktur / Reaction Products of Oxalic Acid Methylester-N-methylamides and Antimony(V) Chloride. Molecular Spectra and Structure

1979 ◽  
Vol 34 (3) ◽  
pp. 398-405 ◽  
Author(s):  
M. Rössler ◽  
W. Schwarz ◽  
A. Schmidt
Keyword(s):  
Molecular Structure ◽  
Oxalic Acid ◽  
Nmr Spectra ◽  
Crystal And Molecular Structure ◽  
Molecular Spectra ◽  
Reaction Products ◽  
Addition Compound ◽  
Ring Systems ◽  
X Ray ◽  
H Nmr

Abstract Oxalic acid dimethylester and the oxalic acid methylester-N-methylamides 2 and 4, resp., react with antimony(V) chloride to yield the 1 : 1 addition compound 5 or the cyclic tetrachloroantimony(V) compounds 1, 3 and 6, resp., which represent SbO2C2 and SbONC2 five ring systems, resp. Li oxalic acid methylester-N-methylimide (9) and anti-mony(V) chloride gives the bicyclic octachloro-N-methylamido oxalato-O,O′-O,N-diantimony(V) (10). The crystal and molecular structure of tetrachloro-N-methylamino oxalato-O,O′-antimony(V) (3) is determined by X-ray analysis. The vibrational and 1H NMR spectra of 2-10 are reported and discussed.

Coordination Behavior of tBu2PH towards [{Rh(μ-Cl)(coe)2}2] (coe = cis-cyclooctene): Crystal and Molecular Structure of [{Rh(μ-Cl)(tBu2PH)2}2]

2008 ◽  
Vol 63 (9) ◽  
pp. 1035-1039 ◽  
Author(s):  
Hans-Christian Böttcher ◽  
Peter Mayer
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Crystal And Molecular Structure ◽  
Molar Ratio ◽  
X Ray ◽  
X Ray Crystallography ◽  
Molar Ratios ◽  
H Nmr ◽  
Coordination Behavior ◽  
Independent Synthesis

The reaction of [{Rh(μ-Cl)(coe)2}2] (coe = cis-cyclooctene) with tBu2PH in different solvents in various molar ratios was investigated. Working with a molar ratio of Rh to P = 1 : 2 in heptane overnight afforded [{Rh(μ-Cl)(tBu2PH)2}2] (1) in nearly quantitative yield. Upon tuning the molar ratio (Rh/P) in the range from 1 : 2 to 1 : 0.5, 31P{1H} NMR spectroscopy indicated the formation of [(tBu2PH)2Rh(μ-Cl)2Rh(coe)2] (3) besides the complexes [{Rh(μ-Cl)(coe)(tBu2PH)}2] (cis, 2a; trans, 2b). The constitution of 3 was established by an independent synthesis mixing 1 with [{Rh(μ- Cl)(coe)2}2] or [{Rh(μ-Cl)(cod)}2] (cod = 1.4-cyclooctadiene), respectively, which also yielded [(tBu2PH)2Rh(μ-Cl)2Rh(cod)] (4). Single crystals of 1 have been analyzed by X-ray crystallography (monoclinic, Cc, Z = 8, a = 32.7375(3), b = 11.1294(1), c = 24.5134(3)Å ; β = 106.7228(4)◦; V = 8553.70(15) Å3; T = 200 (2) K).

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