1,2,6-Thiadiazin-3,5(2H,6H)-dione 1,1-dioxide derivatives: crystal structure, physico-chemical and biological properties

1987 ◽  
Vol 65 (2) ◽  
pp. 298-302 ◽  
Author(s):  
Pilar Goya ◽  
Rosa Nieves ◽  
Carmen Ochoa ◽  
Carmen Rodellas ◽  
Martín Martinez-Ripoll ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Biological Properties ◽  
Anomalous Variation ◽  
Physico Chemical ◽  
C Nmr

Crystal structure, 1H and 13C nmr spectroscopy and pKa measurements of 1,2,6-thiadiazin-3,5(2H,6H)-dione derivatives related with phenylbutazone are reported. An anomalous variation in the pKa values of compounds 1,2, and 3 has been observed. Antiinflammatory, analgesic, and antipyretic activities of these compounds have been evaluated.

scholarly journals Three-Dimensional Supramolecular Network Directed by Intermolecular Interactions in [Pb2(dmp)2(hfacac)4]

2009 ◽  
Vol 6 (4) ◽  
pp. 1085-1090
Author(s):  
Farzin Marandi ◽  
Lotfali Saghatforoush ◽  
Hossein Farzaneh
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
H Nmr ◽  
Noncovalent Bond ◽  
Donor And Acceptor ◽  
Anionic Ligands ◽  
C Nmr

To investigate the interactions between noncovalent bond donor and acceptor giving rise to three dimensional networks, compound [Pb2(dmp)2(hfacac)2] (1) (dmp = 2,9-dimethyl-1,10-henanthroline and Hhfacac = hexafluoroacetylacetonate) has been prepared and characterized by elemental analysis, IR,1H NMR, and13C NMR spectroscopy and its crystal structures was investigated. The single crystal structure show the coordination number of Pb(II) to be eight with twoN-donor atoms from a “dmp” ligand and sixO-donors from the anionic ligands. The supramolecular structure of 1 is realized by weak directional C–H∙∙∙O–C, C–F∙∙∙F–C andπ–πstacking interactions.

1-Allylgermatrane. Synthesis, Structure and Reaction with Diazomethane

1997 ◽  
Vol 52 (1) ◽  
pp. 30-34 ◽  
Author(s):  
Galina S. Zaitseva ◽  
Sergey S. Karlov ◽  
Elena S. Alekseyeva ◽  
Leonid A. Aslanov ◽  
Evgeni V. Avtomonov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Structure Study ◽  
Quantitative Yield ◽  
High Yield ◽  
Crystalline Solid ◽  
Conformational Disorder ◽  
X Ray ◽  
C Nmr

Reaction of allyltribromogermane (2), readily available from dibromo(1,4-dioxane)germanium(II) (1) and allylbromide, with tris(2-tributylstannoxyethyl)-amine (4) gives 1-allylgermatrane (3) in almost quantitative yield. 3 crystallizes from n-pentane as a colourless crystalline solid which was characterized by 1H and 13C NMR spectroscopy and by an X-ray crystal structure study. The “atrane” skeleton shows a strong conformational disorder; the Ge-N distance of 2.208(3) Å suggests the presence of a coordinative Ge-N bond. Treatment of 1-allylgermatrane (3) with CH2N2 in the presence of catalytic amounts of Pd(OAc)2 affords 1-cyclopropylmethylgermatrane (5) in high yield

scholarly journals Beiträge zur Chemie der Schwefelhalogenide, 9 [1]. Trifhiormethyldichlorsulfonium(IV)-hexafluoroarsenat(V) / Contributions to the Chemistry of Sulfur Halides, 9 [1] Trifluoromethyldichlorosulfonium(IV) Hexafluoroarsenate(V )

1985 ◽  
Vol 40 (9) ◽  
pp. 1123-1129 ◽  
Author(s):  
Rolf Minkwitz ◽  
Ulrike Naß ◽  
Armin Radünz ◽  
Hans Preut
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
Structural Data ◽  
Normal Coordinate Analysis ◽  
Vibrational Assignment ◽  
Normal Coordinate ◽  
Sulfonium Salt ◽  
C Nmr

The synthesis of CF3SCl2+AsF6- is reported. The sulfonium salt is characterised by IR, Raman, 19F and 13C NMR spectroscopy. The vibrational assignment is based on a Cs model for the cation and assisted by a normal coordinate analysis. The crystal structure has been determined from three-dimensional diffractometer data at -133 K. The structural data for the cation are: C-F = 128.8(5) pm, C-S = 197,8(3) pm, S-Cl = 195,9(1) pm and F-C-F = 111,8(3)°, Cl-S-Cl = 104,22(5)°, C-S-Cl = 99,8(1)°.

Synthesis and Crystal Structure of Lead(II) Thenoyltrifluoroacetonate Complexes with Substituted 2,2' -Bipyridines: Interplay of Intermolecular Interactions in Crystals

2010 ◽  
Vol 65 (2) ◽  
pp. 128-134 ◽  
Author(s):  
Farzin Marandi ◽  
Zahra Nikpey ◽  
Jia Hao Goh ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Thermal Analysis ◽  
Nmr Spectroscopy ◽  
Intermolecular Interactions ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
C Nmr

Three substituted 2,2'-bipyridine adducts of lead(II) thenoyltrifluoroacetonate, [Pb(4,4'-dm-2,2’- bpy)(ttfa)2]2, 1, [Pb(5,5' -dm-2,2’-bpy)(ttfa)2]2, 2, and [Pb(4,4'-dmo-2,2’-bpy)(ttfa)2], 3, (4,4’ -dm- 2,2’-bpy, 5,5’-dm-2,2’-bpy, 4,4’-dmo-2,2’-bpy and ttfa are the abbreviations for 4,4’-dimethyl-, 5,5’-dimethyl-, and 4,4’-dimethoxy-2,2’-bipyridine, and thenoyltrifluoroacetonate, respectively) have been synthesized, characterized by elemental and thermal analysis, IR and 1H- and 13C-NMR spectroscopy, and studied by X-ray crystallography. The supramolecular features in these complexes are guided/controlled by weak directional intermolecular interactions.

Synthesis and Single Crystal X-Ray Structure of Ethyl 2-(1,3-Benzoxazol- 2-yl)-5-oxo-3-(4-toluidino)-2,5-dihydro-4-isoxazolecarboxylate

2007 ◽  
Vol 62 (5) ◽  
pp. 705-710 ◽  
Author(s):  
Ali Souldozi ◽  
Jabbar Khalafy ◽  
Ahmad Poursattar Marjani ◽  
Katarzyna Ślepokura ◽  
Tadeusz Lis ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Structure Determination ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
X Ray ◽  
C Nmr

Abstract Ethyl 5-oxo-3-(4-toluidino)-2,5-dihydro-4-isoxazolecarboxylate was prepared from the reaction of diethyl 2-(4-toluidinocarbothioyl)malonate with hydroxylamine. Its reaction with 2- chlorobenzoxazole gave the corresponding N-substituted isoxazolone. The structure of the final product 4 was confirmed by IR, 1H and 13C NMR spectroscopy and mass spectrometry, and by X-ray single crystal structure determination.

Alkylaluminum, -gallium, -magnesium, and -zinc monophenolates with bulky substituents

2018 ◽  
Vol 73 (11) ◽  
pp. 943-951 ◽  
Author(s):  
Clint E. Price ◽  
Ana B. Dantas ◽  
Douglas R. Powell ◽  
Rudolf J. Wehmschulte
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Crystal Structures ◽  
Structure Data ◽  
Crystal Structure Data ◽  
The Other ◽  
Zinc Compounds ◽  
C Nmr

AbstractThe bulky phenols 2,6-Ad2C6H3OH (Ad=adamantyl), A, (2,6-Ph2CH)2-4-Me-C6H2OH, B, and (2,6-Tol2CH)2-4-iPr-C6H2OH, C, react with one equivalent of Et3M (M=Al, Ga), Bu2Mg and Et2Zn to afford well-defined mono-phenolate complexes (ArOMRn)m. The aluminum and gallium phenolates derived from the very bulky phenol A are likely monomeric in the solid state. The other compounds are dimeric with bridging phenolates. Crystal structures of compounds with phenols B and C display the dimeric M2O2 cores of the phenolates and illustrate some deviations for the magnesium and zinc compounds. The former possesses stabilizing Mg···C contacts with one of the flanking arene groups of the phenolate substituent, and the latter may be viewed as an intermediate between a symmetric dimer and two monomers. All compounds were characterized by 1H and 13C NMR spectroscopy, and their solution spectra are in agreement with the crystal structure data.

The molecular and crystal structure of 4,4-dimethyl-6,6-diphenyl-tetrahydro-2H-pyran-2-one

1989 ◽  
Vol 54 (6) ◽  
pp. 1661-1665
Author(s):  
Jiří Novotný ◽  
Jan Ondráček ◽  
Marián Schwarz ◽  
Bohumil Kratochvíl
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Least Squares ◽  
Heterocyclic Compound ◽  
Least Squares Method ◽  
Lactone Ring ◽  
Direct Methods ◽  
Molecular And Crystal Structure ◽  
Boat Conformation ◽  
C Nmr

The molecular and crystal structure of 4,4-dimethyl-6,6-diphenyl-tetrahydro-2H-pyran-2-one was solved by direct methods and anisotropically refined by the least squares method. The final R-factor value was 0.065 for 2 181 observed reflections (I > 1.96σ (I)) and 272 refined parameters. The symmetry of the structure corresponds to the P21/c space group with lattice parameters a = 11.207(2), b = 8.168(1), c = 16.896(3) Å, β = 90.05(1)°. The unit cell contains four formula units. A lactone structure was found for this geminally substituted heterocyclic compound and was also demonstrated by 1H and 13C NMR spectroscopy. The lactone ring assumes the boat conformation.

The structures of indoiyl(alkoxy)carbenium tetrafluoroborates: a new class of highly stabilized carbenium ions

1989 ◽  
Vol 44 (6) ◽  
pp. 659-665 ◽  
Author(s):  
Ulf Pindur ◽  
Ludwig Pfeuffer ◽  
Camran Flo ◽  
Werner Massa ◽  
Karin Seitz
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Crystalline State ◽  
X Ray Diffraction ◽  
Carbenium Ions ◽  
X Ray ◽  
Axial Chirality ◽  
New Class ◽  
Charge Distributions ◽  
C Nmr

The conformations of and charge distributions in indolyl(alkoxy)carbenium tetrafluoroborates 2, a new class of highly stabilized carbenium ions, were investigated by 1H and 13C NMR spectroscopy and the crystal structure of indol-3-yl(methoxy)phenylcarbenium tetrafluoroborate (2e) was determined by X-ray diffraction methods. The phenyl-substituted cation of 2e exhibits axial chirality in the crystalline state

2,2'-Bipyridine Mercury(II) Complexes [Hg(bpy)(NO2)X] (X = NO2 –, SCN– , CH3COO–); Π-Π Stacking In The Crystal Structure Of [Hg(bpy)(NO2)2]

2005 ◽  
Vol 60 (3) ◽  
pp. 289-293 ◽  
Author(s):  
Ali Ramazani ◽  
Ali Morsali ◽  
Leila Dolatyari ◽  
Bijan Ganjeie
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Aromatic Rings ◽  
X Ray ◽  
X Ray Crystallography ◽  
H Nmr ◽  
Π Stacking ◽  
Π Stacking Interaction ◽  
Coordinate Geometry ◽  
C Nmr

The mercury(II) complexes of 2,2′-bipyridine (bpy), [Hg(bpy)(NO2)2], [Hg(bpy)(NO2) (CH3COO)], and [Hg(bpy)(NO2)(NCS)] have been synthesized and characterized by elemental analysis, IR, 1H NMR and 13C NMR spectroscopy. The structure of [Hg(bpy)(NO2)2] has been confirmed by X-ray crystallography. The complex is a monomer and the Hg atom has an unsymmetrical six-coordinate geometry, formed by two nitrogen atoms of the bpy ligand and four oxygen atoms of the two nitrite anions. There is a short intermolecular π-π stacking interaction between parallel aromatic rings

Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties

RSC Advances ◽  
2014 ◽  
Vol 4 (48) ◽  
pp. 25357-25364 ◽  
Author(s):  
Mukesh Kumar Saini ◽  
Rakesh Gupta ◽  
Swati Parbhakar ◽  
Anil Kumar Mishra ◽  
Rashi Mathur ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Analytical Techniques ◽  
Keggin Type ◽  
Dimeric Complexes ◽  
Complexes Of Rare Earth ◽  
C Nmr

A series of rare-earth substituted dimeric complexes of Keggin-type silicotungstates were synthesized and characterized using various analytical techniques like SCXD, photoluminescence, 1H and 13C NMR spectroscopy.

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