20 documents found, page 1 of 2
Reviewing the Manifold Aspects of Ganciclovir Crystal Forms
Fernandes, Jose A.; Galli, Simona; Palmisano, Giovanni; Volante, Paolo; Mendes, Ricardo F.; Almeida Paz, Filipe A.; Masciocchi, NorbertoGanciclovir, an active pharmaceutical ingredient against cytomegalovirus, is known to crystallize in the form of anhydrous or hydrated phases. The crystal and molecular structures of two hydrated forms, the hydrochloride salt, and two pro-drug derivatives (i.e., the tri-N-2,O,O-acetyl and di-O-acetyl) have been successfully unveiled from powder X-ray diffraction (PXRD) or single-crystal X-ray diffraction studie...
Crystal structures of the water and acetone monosolvates of bis[4 '-(pyridin-4-...
Lourenco, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, Jose A.The crystal structures of bis[4'-(pyridin-4-yl)-2,2':6',2 ''-terpyridine]manganese(II) bis(hexafluoridophosphate) monohydrate, [Mn(C20H14N4)(2)](PF6)(2)center dot-H2O, (1), and bis[4'-(pyridin-4-yl)-2,2':6',2 ''-terpyridine]manganese(II) bis-(hexafluoridophosphate) acetone monosolvate, (2), [Mn(C20H14N4)(2)]-(PF6)(2)center dot CH3COCH3, are described. At 150 K, (1) and (2) have monoclinic (P2(1)/c) and orthorho...
Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-...
Liu, Bing; Fernandes, Jose A.; Tome, Joao P. C.; Almeida Paz, Filipe A.; Cunha-Silva, LuisThe synthesis and structural characterization of five transition metal complexes with different dimensionality and incorporating residues of 3-amino-1H-1,2,4-triazole-5-carboxylic acid (H(2)atrc) is reported: [Zn(Hatrc)(2)(H2O)] (1), [Mn(Hatrc)(2)(H2O)(2)]center dot 2H(2)O (2), [Fe-2(Hatrc)(4)(OH)(2)]center dot 6H(2)O (3), [Cd(Hatrc)(2)(H2O)](n) (4), and [Mn(atrc)(H2O)](n)center dot nH(2)O (5). These materials ...
Organobase catalyzed 1,4-conjugate addition of 4-hydroxycoumarin on chalcones: ...
Talhi, Oualid; Fernandes, Jose A.; Pinto, Diana C. G. A.; Almeida Paz, Filipe A.; Silva, Artur M. S.The synthesis of a new series of warfarin analogues by convenient organobase catalyzed 1,4-conjugate addition of 4-hydroxycoumarin to chalcone derivatives is described. H-1 NMR spectroscopy evidenced the presence of a predominant acyclic open-form together with the cyclic hemiketal tautomers of the resulting Michael adducts. The acyclic open-form has been unequivocally proved by single-crystal X-ray diffraction...
X-ray and NMR Crystallography Studies of Novel Theophylline Cocrystals Prepared...
Fernandes, Jose A.; Sardo, Mariana; Mafra, Luis; Choquesillo-Lazarte, Duane; Masciocchi, NorbertoTwo new cocrystals of, theophylline were pared by liquid assisted grinding. While compound 1 (theophylline:4-aminosalicylic acid 2:1) was characterized by single crystal X-ray diffraction, the crystal structure of compound 2 (theophylline:4-aminobenzoic acid 1:1) was determined by combining. X-ray: powder diffraction (XRPD), solid-state NMR and DFT calculations. The use of 1D/2D H-1 high resolution solid-state ...
Crystal structure of 5-amino-4H-1,2,4-triazol-1-ium pyrazine-2-carboxylate: an ...
Fernandes, Jose A.; Liu, Bing; Tome, Joao P. C.; Cunha-Silva, Luis; Almeida Paz, Filipe A.Both the 3-amino-2H,4H-1,2,4-triazolium cation and the pyrazine-2-carboxylate anion in the title salt, C2H5N4+center dot C5H3N2O2-, were formed by an unexpected decarboxylation reaction, from 5-amino-1H-1,2,4-triazole-3-carboxylic acid and pyrazine-2,3-dicarboxylic acid, respectively. The dihedral angle between the pyrazine ring (r.m.s. deviation = 0.008 angstrom) and the carboxylate group in the anion is 3.7 (...
Pyrazolyl Pd(II) complexes containing triphenylphosphine: Synthesis and antimyc...
da Silva, Cristiana; Ribeiro, Leonardo B.; Furuno, Caio C.; da Cunha, Gislaine A.; de Souza, Ronan F. F.; Netto, Adelino V. G.; Mauro, Antonio E.Complexes of the type trans-[PdCl2(HL)(PPh3)], where HL = pyrazole (1); 3,5-dimethylpyrazole (2); 4-nitropyrazole (3); 4-iodopyrazole (4) and PPh3 = triphenylphosphine, were synthesized and characterized by elemental analyses, infrared and H-1 NMR spectroscopies. Single-crystal X-ray diffraction determination on 3.0.9 CHCl3 and 4 showed that the coordination geometry around Pd(II) is nearly square-planar, with ...
Crystal Structure and Spectroscopic Studies of a Dimeric Europium( III) similar...
Coelho, Ana C.; Gomes, Ana C.; Fernandes, Jose A.; Almeida Paz, Filipe A.; Braga, Susana S.; Rino, Luis; Pereira, Luiz; Pillinger, MartynThe homodinuclear europium(III) -diketonate complex [Eu-2(bta)(4)(pypzCH(2)COO)(2)] (1) {bta = 1-benzoyl-3,3,3-trifluoroacetonate, pypzCH(2)COO = [3-(2-pyridyl)-1-pyrazolyl]acetate} was isolated after recrystallization of the crude product obtained from the reaction of [Eu(bta)(3)(H2O)(2)] with one equivalent of the ligand phenyl[3-(2-pyridyl)-1-pyrazolyl]acetate (pypzCH(2)CO(2)C(6)H(5)). A single-crystal X-ray...
Metal-organic frameworks based on uranyl and phosphonate ligands
Monteiro, Bernardo; Fernandes, Jose A.; Pereira, Claudia C. L.; Vilela, Sergio M. F.; Tome, Joao P. C.; Marcalo, Joaquim; Almeida Paz, Filipe A.Three new crystalline metal-organic frameworks have been prepared from the reaction of uranyl nitrate with nitrilotris(methylphosphonic acid) [H(6)nmp, N(CH2PO3H2)(3)], 1,4-phenylenebis(methylene)diphosphonic acid [H(4)pmd, C6H4(PO3H2)(2)], and (benzene-1,3,5-triyltris(methylene))triphosphonic acid [H(6)bmt, C6H3(PO3H2)(3)]. Compound [(UO2)(2)F(H(3)nmp)(H2O)]center dot 4H(2)O (I) crystallizes in space group C2/...
Use of Organomolybdenum Compounds for Promoted Hydrolysis of Phosphoester Bonds...
Gomes, Ana C.; Gamelas, Carla A.; Fernandes, Jose A.; Almeida Paz, Filipe A.; Nunes, Patrique; Pillinger, Martyn; Goncalves, Isabel S.; Romao, Carlos C.The dissolution of the indenyl (Ind) complex [{(eta(5)-Ind)Mo(CO)(2)(mu-Cl)}(2)] (1) in N,N'-dimethylformamide (DMF) gives the ring-slipped complex [(eta(3)-Ind)Mo(CO)(2)Cl(DMF)(2)] (2). The aerial oxidation of 2 leads to the formation of the dinuclear oxomolybdenum(V) chloride [Mo2O2(DMF)(4)(mu-O)(2)Cl-2] (3). The structures of 2 and 3 DMF have been determined by single-crystal X-ray diffraction. Compounds 1 a...