scholarly journals Preparation, structures and preliminary host–guest studies of fluorinated syn-bis-quinoxaline molecular tweezers

2010 ◽  
Vol 6 ◽  
Author(s):  
Markus Etzkorn ◽  
Jacob C Timmerman ◽  
Matthew D Brooker ◽  
Xin Yu ◽  
Michael Gerken
Keyword(s):  
Crystal Structure ◽  
Chemical Exchange ◽  
Solvent Molecule ◽  
The Self ◽  
Synthetic Route ◽  
Nmr Studies ◽  
Molecular Tweezers ◽  
Self Association ◽  
Molecular Tweezer ◽  
Bound Electron

A series of polycyclic frameworks with fluorinated syn-facial quinoxaline sidewalls has been prepared as potential molecular tweezers for electron-rich guest compounds. Our synthetic route to the cyclooctadiene-derived scaffolds 16a–d takes advantage of the facile isolation of a novel spirocyclic precursor 9b with the crucial syn-orientation of its two alkene moieties. The crystal structure of 16c displays two features typical of a molecular tweezer: inclusion of a solvent molecule in the molecular cleft and self-association of the self-complementary scaffolds. Furthermore, host–guest NMR studies of compound 16c in solution show chemical exchange between the unbound and bound electron-rich guest, N,N,N′,N′-tetramethyl-p-phenylenediamine.

NMR Studies on the Self-Association of Uridine and Uridine Analogues

1998 ◽  
Vol 4 (4) ◽  
pp. 621-628 ◽  
Author(s):  
Anita Dunger ◽  
Hans-Heinrich Limbach ◽  
Klaus Weisz
Keyword(s):  
The Self ◽  
Nmr Studies ◽  
Self Association

scholarly journals DIRECT SYNTHESIS AND CRYSTAL STRUCTURE OF BIS(BROMIDO-BIS(1,10 PHENANTHROLINE)-COPPER(II)) NITROPRUSSIDE DIMETHYLFORMAMIDE SOLVATE

2018 ◽  
pp. 15-18
Author(s):  
O. Vassilyeva ◽  
E. Buvaylo ◽  
B. Skelton
Keyword(s):  
Crystal Structure ◽  
Self Assembly ◽  
Direct Synthesis ◽  
Solvent Molecule ◽  
The Self ◽  
Coordination Geometry ◽  
Synthesis And Crystal Structure ◽  
Copper Coordination ◽  
Bromide Ion ◽  
Nitroprusside Anion

The title compound, [Cu(C12H8N2)2Br]2[Fe(CN)5(NO)]·C3H7NO, was prepared by the self-assembly of nitroprusside anion and Cu cation containing a bidentate amine in the reaction of copper powder and sodium nitroprusside with NH4Br and 1,10-phenanthroline (phen) in dimethylformamide (DMF). The complex is formed of discrete [Cu(phen)2Br]+ cations, nitroprusside [Fe(CN)5(NO)]2– anions and DMF molecules of crystallization. The cation has no crystallographically imposed symmetry; the metal atom coordinates two nitrogen atoms of two phen molecules and bromide ion. The copper coordination geometry is intermediate between a square pyramid and a trigonal bipyramid. The [Fe(CN)5(NO)]2– anion is located on an inversion centre with the nitrosyl group modelled as disordered with one of the CN groups. The DMF solvent molecule was found to be disordered about the crystallographic inversion centre; geometries were restrained to ideal values. In the solid state, alternating layers of cations and of anions plus DMF molecules are stacked along the b axis.

1H and13C NMR studies on the self-association of retinoic acid

1990 ◽  
Vol 28 (3) ◽  
pp. 223-226 ◽  
Author(s):  
D. Vincent Waterhous ◽  
Donald D. Muccio
Keyword(s):  
Retinoic Acid ◽  
The Self ◽  
Nmr Studies ◽  
1H And13c Nmr ◽  
Self Association

1H and13C NMR studies of the self-association of chlorpromazine hydrochloride in aqueous solution

1994 ◽  
Vol 32 (8) ◽  
pp. 468-472 ◽  
Author(s):  
David Attwood ◽  
Roger Waigh ◽  
Ross Blundell ◽  
Debra Bloor ◽  
André Thévand ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
The Self ◽  
Nmr Studies ◽  
1H And13c Nmr ◽  
Chlorpromazine Hydrochloride ◽  
Self Association

1H-NMR studies on the self-association of chloroquine in aqueous solution

1990 ◽  
Vol 36 (1) ◽  
pp. 65-70 ◽  
Author(s):  
Nadia Marchettini ◽  
Gianni Valensin ◽  
Elena Gaggelli
Keyword(s):  
Aqueous Solution ◽  
1H Nmr ◽  
The Self ◽  
Nmr Studies ◽  
Self Association

A Crystallographic Study of Bis[S-benzyl-5-bromo-2-oxoindolin-3-ylidenemethanehydrazonthioate] Disulfide Solvated with Dimethylsulfoxide

2012 ◽  
Vol 9 (2) ◽  
pp. 87
Author(s):  
Mohd Abdul Fatah Abdul Manan ◽  
M. Ibrahim M. Tahir ◽  
Karen A. Crouse ◽  
Fiona N.-F. How ◽  
David J. Watkin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Unit Cell Parameters ◽  
Intermolecular Hydrogen Bonds ◽  
Triclinic Space Group ◽  
Cell Parameters ◽  
Crystallographic Study ◽  
Thiol Form

The crystal structure of the title compound has been determined. The compound crystallized in the triclinic space group P -1, Z = 2, V = 1839 .42( 18) A3 and unit cell parameters a= 11. 0460( 6) A, b = 13 .3180(7) A, c=13. 7321 (8) A, a = 80.659(3 )0, b = 69 .800(3 )0 and g = 77 .007 (2)0 with one disordered dimethylsulfoxide solvent molecule with the sulfur and oxygen atoms are distributed over two sites; S101/S102 [site occupancy factors: 0.6035/0.3965] and 0130/0131 [site occupancy factor 0.3965/0.6035]. The C22-S2 l and C 19-S20 bond distances of 1. 779(7) A and 1. 788(8) A indicate that both of the molecules are connected by the disulfide bond [S20-S21 2.055(2) A] in its thiol form. The crystal structure reveals that both of the 5-bromoisatin moieties are trans with respect to the [S21-S20 and CI 9-Nl 8] and [S20-S21 and C22-N23] bonds whereas the benzyl group from the dithiocarbazate are in the cis configuration with respect to [S21-S20 and C19-S44] and [S20-S21 and C22-S36] bonds. The crystal structure is further stabilized by intermolecular hydrogen bonds of N9-H35···O16 formed between the two molecules and N28-H281 ···O130, N28-H281 ···O131 and C4 l-H4 l l ···O 131 with the solvent molecule.

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