Conformation of the nootropic agents 1-(4-methoxybenzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) and 4-hydroxymethyl-1-benzyl-pyrrolidin-2-one (WEB-1868): X-ray crystal structures, theoretical MO calculations (AM-1) and 600 MHZ 1H NMR spectra

Protolysis of [Ca{N(SiMe3)2(thf)2] (thf = tetrahydrofuran) with the N,N-dialkyl-N′-2,3,5,6-tetrafluorophenylethane-1,2-diamines, p-HC6F4NH(CH2)2NR2 (LRH; R = Me or Et), yields [Ca(p-HC6F4N(CH2)2NR2)2(thf)2], whilst protolysis of di-n-butylmagnesium by the same amines yields [Mg(p-HC6F4N(CH2)2NR2)2] complexes. X-Ray crystal structures show that the calcium derivatives contain eight-coordinate calcium atoms, with tridentate (N,N′,o-F) coordination of the organoamide ligands and cisoid thf donors. It is noteworthy that the Ca–F(C) bond lengths are shorter than the Ca–NR2 bond lengths. By contrast, magnesium forms centrosymmetric, six-coordinate, homoleptic complexes, in which the Mg–NR2 bond lengths are shorter than the Mg–F(C) bond lengths. 19F{1H} NMR spectra of the R = Me complexes support retention of Ae–F(C) linkages in solution at low temperatures. Heating the complexes for a prolonged period in C6D6 at 80°C showed no evidence of C–F activation reactions.

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The 1H NMR spectra and fluxional behaviour of [Mo(η-C5H5)(CO)(CNR)3][PF6] complexes (R = Me, Et, Pr OR Bu ): the x-ray structure of [Mo(ν-C5H5)(CO)(CNB )3][PF6]

Polyhedron ◽

10.1016/s0277-5387(00)84851-2 ◽

1986 ◽

Vol 5 (11) ◽

pp. 1741-1746 ◽

Cited By ~ 3

Author(s):

Gerard Lawless ◽

Gerard McNally ◽

A.R. Manning ◽

Desmond Cunningham ◽

Patrick McArdle

Keyword(s):

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra ◽

X Ray

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ChemInform Abstract: The 4-Chloro-2-oxo-1,3,5,5,8-pentamethyl-1,3,8-triaza-5-azonia-4λ5-phosphasp# iro(3.4)octyl Cation: X-Ray Crystal Structure Determination and Variable Temperature 1H NMR Spectra.

ChemInform ◽

10.1002/chin.199042065 ◽

1990 ◽

Vol 21 (42) ◽

Author(s):

T. KAUKORAT ◽

L. ERNST ◽

R. SCHMUTZLER ◽

D. SCHOMBURG

Keyword(s):

Crystal Structure ◽

1H Nmr ◽

Structure Determination ◽

Nmr Spectra ◽

Variable Temperature ◽

1H Nmr Spectra ◽

Crystal Structure Determination ◽

X Ray

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Molecular and Crystal Structures of 4-Cyano-3(2H)-Furanones and Structural Effects in 1H NMR Spectra

Journal of Structural Chemistry ◽

10.1134/s0022476619060131 ◽

2019 ◽

Vol 60 (6) ◽

pp. 979-989

Author(s):

A. V. Afonin ◽

A. V. Vashchenko ◽

O. G. Volostnykh ◽

A. V. Stepanov ◽

A. G. Mal’kina

Keyword(s):

Crystal Structures ◽

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra ◽

Structural Effects ◽

Molecular And Crystal Structures

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Syntheses and 1H NMR Spectra of Substituted Zintl Ions [Ge9Rn](4-n)-: Crystal Structures of [Ge9R]3- (R = 2,4,6-Me3C6H2, CHCH2) and Indication of Tris-Vinylated Clusters

European Journal of Inorganic Chemistry ◽

10.1002/ejic.201100412 ◽

2011 ◽

Vol 2011 (27) ◽

pp. 4262-4269 ◽

Cited By ~ 32

Author(s):

Christian B. Benda ◽

Jian-Qiang Wang ◽

Bernhard Wahl ◽

Thomas F. Fässler

Keyword(s):

Crystal Structures ◽

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra ◽

Zintl Ions

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ChemInform Abstract: Synthesis and X-Ray Structural Characterization of Binuclear Iridium(I) and Rhodium(I) Hydroxypyridinate Complexes. Part 1. Complete Assignment of the 1H NMR Spectra by Two-Dimensional and NOE Techniques. The Nature of “Inside” and “O

ChemInform ◽

10.1002/chin.198901240 ◽

1989 ◽

Vol 20 (1) ◽

Author(s):

G. S. RODMAN ◽

K. R. MANN

Keyword(s):

1H Nmr ◽

Structural Characterization ◽

Nmr Spectra ◽

1H Nmr Spectra ◽

Two Dimensional ◽

X Ray ◽

Complete Assignment

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Ligand Effects of 2-(2-Pyridyl)benzazole−Pd Complexes on the X-ray Crystallographic Structures,1H NMR Spectra, and Catalytic Activities in Mizoroki−Heck Reactions

Organometallics ◽

10.1021/om7008843 ◽

2007 ◽

Vol 26 (26) ◽

pp. 6551-6555 ◽

Cited By ~ 46

Author(s):

Satoshi Haneda ◽

Zhibin Gan ◽

Kazuo Eda ◽

Masahiko Hayashi

Keyword(s):

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra ◽

Heck Reactions ◽

X Ray ◽

Catalytic Activities ◽

Ligand Effects ◽

Crystallographic Structures ◽

Pd Complexes

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Synthesis, crystal structure, and 1H NMR spectra of a chloride-bridged chain complex of dinuclear ruthenium(II,III) 3,4,5-tri(ethoxy-d 5)benzoate

Chemical Papers ◽

10.2478/s11696-010-0071-1 ◽

2010 ◽

Vol 64 (6) ◽

Cited By ~ 5

Author(s):

Hideaki Ishida ◽

Makoto Handa ◽

Takahisa Ikeue ◽

Jun Taguchi ◽

Masahiro Mikuriya

Keyword(s):

Single Crystal ◽

1H Nmr ◽

Nmr Spectra ◽

Chain Complex ◽

Chain Structure ◽

1H Nmr Spectra ◽

Chain Molecule ◽

Zigzag Chain ◽

X Ray ◽

Dinuclear Ruthenium

AbstractDeuterated dinuclear ruthenium(II,III) 3,4,5-tri(ethoxy-d 5)benzoate, [Ru2{3,4,5-(C2D5O)3C6H2-COO}4Cl]n, was synthesized by a reaction of [Ru2(C2H5COO)4Cl]n and 3,4,5-tri(ethoxy-d 5)benzoic acid and characterized by single-crystal X-ray analysis as well as IR, UV-VIS, and 1H NMR spectra, and compared with those of the undeuterated complex [Ru2{3,4,5-(C2H5O)3C6H2COO}4Cl]n. Single-crystal X-ray analysis showed that chloride ligands bridge the dinuclear ruthenium(II,III) units at the axial positions to form a zigzag chain molecule with the Ru1-Cl-Ru2 angle of 123.82(4)°. 1H NMR spectra in CD2Cl2 displayed a broad signal attributable to o-H atoms on the phenyl rings of the benzoate ligands from approximately δ = 23 to δ = 32 at 25°C and several signals from approximately δ = −50 to δ = 50 at −80°C. These spectra show the preservation of the polymeric or oligomeric chain structure in dichloromethane, which is supported by the solution behavior confirmed by the UV-VIS spectra and electronic conductance.

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