Nucleic acid related compounds. 57. Synthesis, x-ray crystal structure, lipophilic partition properties, and antiretroviral activities of anomeric 3'-azido-2',3'-dideoxy-2,6-diaminopurine ribosides

1989 ◽  
Vol 32 (8) ◽  
pp. 1763-1768 ◽  
Author(s):  
Morris J. Robins ◽  
Steven G. Wood ◽  
N. Kent Dalley ◽  
Piet Herdewijn ◽  
Jan Balzarini ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nucleic Acid ◽  
X Ray ◽  
Related Compounds

scholarly journals Crystal Chemical Relations in the Shchurovskyite Family: Synthesis and Crystal Structures of K2Cu[Cu3O]2(PO4)4 and K2.35Cu0.825[Cu3O]2(PO4)4

Crystals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 807
Author(s):  
Ilya V. Kornyakov ◽  
Sergey V. Krivovichev
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Structural Complexity ◽  
Crystal Chemical ◽  
X Ray Diffraction ◽  
Complexity Measures ◽  
X Ray ◽  
The Family ◽  
Similarities And Differences ◽  
Related Compounds

Single crystals of two novel shchurovskyite-related compounds, K2Cu[Cu3O]2(PO4)4 (1) and K2.35Cu0.825[Cu3O]2(PO4)4 (2), were synthesized by crystallization from gaseous phase and structurally characterized using single-crystal X-ray diffraction analysis. The crystal structures of both compounds are based upon similar Cu-based layers, formed by rods of the [O2Cu6] dimers of oxocentered (OCu4) tetrahedra. The topologies of the layers show both similarities and differences from the shchurovskyite-type layers. The layers are connected in different fashions via additional Cu atoms located in the interlayer, in contrast to shchurovskyite, where the layers are linked by Ca2+ cations. The structures of the shchurovskyite family are characterized using information-based structural complexity measures, which demonstrate that the crystal structure of 1 is the simplest one, whereas that of 2 is the most complex in the family.

(Tnmethylphosphine)(triphenylsilyl)gold(I) and Related Compounds

1999 ◽  
Vol 54 (1) ◽  
pp. 26-29 ◽  
Author(s):  
Miguel Monge Oroz ◽  
Annette Schier ◽  
Hubert Schmidbaur
Keyword(s):  
Crystal Structure ◽  
Crystal Lattice ◽  
Coordination Compounds ◽  
Ionic Species ◽  
X Ray Diffraction ◽  
X Ray ◽  
Halide Complexes ◽  
Related Compounds ◽  
Heteroleptic Complex

Mononuclear coordination compounds of the type (R3P)AuSiR′3 with R = R’ = Ph and R = Me, R′ = Ph have been obtained from reactions of the corresponding halide complexes (R3P)AuCl with the silyllithium reagent LiSiPh3. The fully phenylated species undergoes ligand redistribution in solution to give homoleptic ionic species. (Me3P)AuSiPh3 is less susceptible to this process and crystallizes from solutions as the heteroleptic complex. The crystal structure of this compound has been determined by X-ray diffraction. In the crystal lattice the molecules are not associated.

An experimental and theoretical approach to the study of the properties of parabanic acid and related compounds: synthesis and crystal structure of diethylimidazolidine-2-selone-4,5-dione

2000 ◽  
Vol 78 (9) ◽  
pp. 1147-1157
Author(s):  
Massimiliano Arca ◽  
Francesco Demartin ◽  
Francesco A Devillanova ◽  
Francesco Isaia ◽  
Francesco Lelj ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dft Calculations ◽  
Electronic Structures ◽  
Frontier Orbitals ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Related Compounds ◽  
Donor Character ◽  
Ft Raman

The syntheses of the first examples of selenoparabanic acid derivatives (dialkylimidazolidine-2-selone-4,5-dione, 3eR R = Me, Et, Bu) are presented along with the X-ray crystal structure determination of 3eEt. To gain an insight in the properties of parabanic acid derivatives on the basis of their electronic structures, we report the results of comparative hybrid-DFT calculations performed on parabanic, thioparabanic, and selenoparabanic acids (3aH, 3bH, and 3eH) and on their N,N' -dimethyl derivatives (3aMe, 3bMe, and 3eMe). Calculations show that the different nature of the frontier orbitals of 3aR compared to those of 3bR and 3eR, might account for the different reactivities of these compounds. Moreover, the weak donor character of 3bR and 3eR towards molecular di-iodine, estimated by FT-Raman measurements is in agreement with the calculated NBO-charge distribution.Key words: selenation, selenoparabanic derivatives, crystal structure, DFT calculations.

Structural studies of some 1-polymethyleneimino-2,4-dinitrobenzenesand related compounds; crystal structure of 1-(cis-2′,6′-dimethylpiperidin-1′-yl)-2,4-dinitrobenzene

2000 ◽  
Vol 53 (8) ◽  
pp. 715 ◽  
Author(s):  
Maureen F. Mackay ◽  
Douglas J. Gale ◽  
John F. K. Wilshire
Keyword(s):  
Crystal Structure ◽  
Phenyl Ring ◽  
Ring Opening ◽  
Boat Conformation ◽  
Structural Studies ◽  
X Ray ◽  
X Ray Crystallography ◽  
The Mean ◽  
Related Compounds ◽  
Solid State Conformation

The ultraviolet and 1H n.m.r. spectra of some 1-polymethyleneimino-2,4-dinitrobenzenes and related compounds are discussed. The effect of trifluoroacetic acid on these spectra was also investigated; with 1-azetidinyl-2,4-dinitrobenzene, acid-catalysed ring opening was observed. The solid-state conformation of 1-(cis-2′,6′-dimethylpiperidin-1′-yl)-2,4-dinitrobenzene has been defined by single-crystal X-ray crystallography. Triclinic crystals belong to the space group P–1 with a 8.165(1), b 7.865(1), c 11.148(1) Å, α 95.23(1), β 106.00(1), γ 92.63(1)˚ and Z 2. The structure was refined to a final R of 0.048 for the 2222 observed data. In the crystal, the phenyl ring adopts a slight boat conformation, while the amino and o-nitro groups are significantly twisted from the mean plane of the ring.

scholarly journals X-ray structural studies of the interactions between the components of protein and nucleic acid. II. Crystal structure of the adenin-9-ylethylamine: phenylacetic acid (1:1) complex.

1982 ◽  
Vol 30 (12) ◽  
pp. 4249-4257 ◽  
Author(s):  
TOSHIMASA ISHIDA ◽  
MITSUNOBU DOI ◽  
TOSHIKAZU OKUNO ◽  
MASATOSHI INOUE
Keyword(s):  
Crystal Structure ◽  
Nucleic Acid ◽  
Phenylacetic Acid ◽  
Structural Studies ◽  
X Ray

The Structure of Polyisoprenes. IV. Double-Bond Interaction in Certain Carbalkoxy-Substituted 1,5-Dienes

1946 ◽  
Vol 19 (1) ◽  
pp. 14-22
Author(s):  
L. Bateman ◽  
G. A. Jeffrey
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Methyl Ester ◽  
X Ray ◽  
Bond Interaction ◽  
Carbon Framework ◽  
New Interpretation ◽  
Related Compounds ◽  
Ray Methods ◽  
Crystallization From Solution

Abstract A peculiar lack of olefinic reactivity, combined with a facility for cyclization of methyl and ethyl Δ1,5-hexadiene-1, 1, 3, 3, 4, 4, 6, 6-octacarboxylates, has been attributed by Ingold, Parekh, and Shoppee to ring-chain mesomerism. A reinvestigation of these and related compounds has now been made by using x-ray methods, and it is shown that the crystal structure of the methyl ester is incompatible with the cis-configuration required for such interspatial double-bond saturation. A radical disruption of a mesomeric system by crystallization from solution is improbable and, an earlier formulation incorporating a bicyclobutane nucleus being rejected on chemical grounds, it is necessary to seek a new interpretation of the anomalous reactivity. We suggest that the determinative condition is hyperconjugation throughout the carbon framework of the molecule, and discuss this in relation to 1,5-dienes generally.

Nucleic acid related compounds. 67. Synthesis of 5′-amino and 5′-methylthio chain-extended nucleosides from uridine

1991 ◽  
Vol 69 (12) ◽  
pp. 2104-2111 ◽  
Author(s):  
Stanislaw F. Wnuk ◽  
N. Kent Dalley ◽  
Morris J. Robins
Keyword(s):  
Nucleic Acid ◽  
Sodium Borohydride ◽  
Conjugate Addition ◽  
Amino Derivative ◽  
Vinyl Sulfone ◽  
X Ray ◽  
Basic Solutions ◽  
High Yields ◽  
Wittig Reagent ◽  
Related Compounds

Treatment of 2′,3′-O-isopropylideneuridine-5′-aldehyde with the stabilized Wittig reagent, (p-toluenesulfonylmethylene)triphenylphosphorane, gave high yields of 1-[5,6-dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-β-D-ribo-hex-5(E)-enofuranosyl]uracil (2). This vinylsulfone (2) underwent isomerization readily in base to give the allylic sulfone, 1-[5,6-dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-β-D-erythro-hex-4(Z)-enofuranosyl]uracil (3). Treatment of 2 or 3 with aqueous trifluoroacetic acid gave the corresponding deprotected vinyl (5) or allylic (6) sulfones, and 5 was converted to 6 readily in basic solutions. Treatment of 2 with sodium borohydride, sodium thiomethoxide, or ammonia resulted in conjugate addition (at C5′ of the vinyl sulfone) to give the 5′-hydro, 5′-methylthio, or 5′-amino-5′,6′-dideoxy-6′-(p-toluenesulfonyl) nucleosides. The 5′-substituted diastereomers were deprotected, separated, and the configuration of a 5′-amino derivative was established by X-ray crystallography.Key words: allylic sulfones, amino-nucleosides, 5′,6′-dideoxynucleosides, nucleosides, uridine, vinyl sulfones.

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