Search results for: Ligia R. Gomes

Items from 1 to 20 out of 27 results

article

Crystal structure of N‐(1,3‐benzothiazol‐2‐yl)‐4‐iodobenzene‐1‐sulfonohydrazide: the unexpected importance of l N‐H⋅⋅⋅π and I⋅⋅⋅π interactions on the supramolecular arrangement

Lígia R. Gomes, Herbert Früchtl, John N. Low, Tanja Mourik, more

Zeitschrift für anorganische und allgemeine Chemie > 648 > 17 > n/a - n/a

The 2‐hydrazinyl‐1,3‐benzothiazole derivatives are precursors for synthesis of several compounds of technological interest, including the Bt−NH−N=CHR₁ (R₁=alkyl, aryl, heteroaryl), derivatives. Usually when Bt−NH−NH₂ is allowed to react with a benzenesulfonyl chloride the substitution is observed in the terminal nitrogen of the arenehydrazine unit, but when 4‐iodophenyl sulfonyl chloride (4‐IC₆H₄SO...

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Crystal structures and Hirshfeld surface analyses of the hemi-hydrate and hemi-methanolate of 3α-hydroxy-16α-bromoandrostan-17-one, 3: Differences in supramolecular arrangements

Ligia R. Gomes, John N. Low, Alan B. Turner, James L. Wardell

Steroids > 2018 > 137 > C > 30-39

The crystal structures and Hirshfeld surface analyses of two hemi-solvates of 3α-hydroxy-16α-bromoandrostan-17-one, 3, namely [(3)₂.(H₂O)] and [(3)₂.(MeOH)], are reported. Both solvates crystallize in the monoclinic space group, P2₁, with Z = 4._. The asymmetric unit of the hemi-hydrate [(3)₂.(H₂O)] contains two independent but similar steroid molecules and a water molecule, while that of the hemi-methanoate...

article

Structural elucidation of a series of benzamide derivatives

Catarina Oliveira, Alexandra Gaspar, Ligia R. Gomes, John N. Low, more

Magnetic Resonance in Chemistry > 56 > 3 > 216 - 223

article

Structural elucidation of a series of 6‐methyl‐3‐carboxamidocoumarins

André Fonseca, Alexandra Gaspar, Maria João Matos, Ligia R. Gomes, more

Magnetic Resonance in Chemistry > 55 > 4 > 373 - 378

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Synthesis of 6-aryl/heteroaryl-4-oxo-4H-chromene-2-carboxylic ethyl ester derivatives

Carlos Fernandes, Pedro Soares, Alexandra Gaspar, Daniel Martins, more

Tetrahedron Letters > 2016 > 57 > 27-28 > 3006-3010

The development of new chemical entities represents an important challenge in pharmaceutical industry, being the use of privileged scaffolds for library design and drug discovery a valuable approach. Among the panoply of privileged structures, our research group has focused its attention on the chromone (4H-benzopyran-4-one) scaffold due to its chemical versatility and ability to bind to multiple...

article

Synthesis and characterisation of new 4-oxo-N-(substituted-thiazol-2-yl)-4H-chromene-2-carboxamides as potential adenosine receptor ligands

Fernando Cagide, Fernanda Borges, Ligia R. Gomes, John Nicolson Low

Journal of Molecular Structure > 2015 > 1089 > Complete > 206-215

Chromones are 4H-benzopyran-4-one heterocycles that have been thoroughly studied due to their interesting biological activities. Thiazole based compounds have been used in therapeutics as antimicrobial, antiviral and as antifungal agents for a long time but, in the past decades, they have been identified as potent and selective ligands for adenosine receptor. In continuation of our project related...

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Porphyrin interaction with the membrane: the use of membrane models to elicit the diverse partition in normal and neoplastic tissue

Carla Matos, Cláudia Ribeiro, Lígia R. Gomes

Medicinal Chemistry Research > 2015 > 24 > 11 > 3885-3891

This work presents a comparative study of the interaction of three porphyrins: the cationic meso-tetra(4-N,N,N-trimethylanilinium) porphine tetrachloride (T973); the anionic meso-tetra(4-carboxyphenyl) porphine (T790); and the neutral meso-tetra(p-hydroxyphenyl) porphine (T679) with model membranes, at two different pH values. The models for the biological membrane used were micelles of hexadecylphosphocholine...

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Design, synthesis and biological evaluation of (E)-2-(2-arylhydrazinyl)quinoxalines, a promising and potent new class of anticancer agents

Felipe A.R. Rodrigues, Igor da S. Bomfim, Bruno C. Cavalcanti, Claudia do Ó. Pessoa, more

Bioorganic & Medicinal Chemistry Letters > 2014 > 24 > 3 > 934-939

A series of forty-seven quinoxaline derivatives, 2-(XYZC ₆ H ₂ CHN–NH)-quinoxalines, 1, have been synthesized and evaluated for their activity against four cancer cell lines: potent cytotoxicities were found (IC ₅₀ ranging from 0.316 to 15.749μM). The structure–activity relationship (SAR) analysis indicated that the number, the positions and the type of substituents attached...

article

4‐Oxo‐N‐phenyl‐4H‐chromene‐2‐carboxamide and of a new polymorph of 7‐methoxy‐4‐oxo‐N‐p‐tolyl‐4H‐chromene‐2‐carboxamide and its hemihydrate

Joana Reis, Alexandra Gaspar, Fernanda Borges, Ligia R. Gomes, more

Acta Crystallographica Section C > 69 > 12 > 1527 - 1533

4‐Oxo‐N‐phenyl‐4H‐chromene‐2‐carboxamide, C₁₆H₁₁NO₃, crystallizes in the space group P2₁/n and its derivative 7‐methoxy‐4‐oxo‐N‐p‐tolyl‐4H‐chromene‐2‐carboxamide, C₁₈H₁₅NO₄, forms two polymorphs which crystallize in the space groups P2₁/c and P. The structures have an anti‐rotamer conformation about the C—N bond; however, the amide O atom can be either trans‐ or cis‐related to the O atom of the pyran...

article

Two polymorphs of N‐(2‐methoxyphenyl)‐4‐oxo‐4H‐chromone‐3‐carboxamide

Ligia R. Gomes, John Nicolson Low, Fernanda Borges, Fernando Cagide

Acta Crystallographica Section C > 69 > 8 > 927 - 933

The title compound, C₁₇H₁₃NO₄, crystallizes in two polymorphic forms, each with two molecules in the asymmetric unit and in the monoclinic space group P2₁/c. All of the molecules have intramolecular hydrogen bonds involving the amide group. The amide N atoms act as donors to the carbonyl group of the pyrone and also to the methoxy group of the benzene ring. The carbonyl O atom of the amide group acts...

article

Five N′‐benzylidene‐N‐methylpyrazine‐2‐carbohydrazides

Ligia R. Gomes, John Nicolson Low, Ana S. M. C. Rodrigues, James L. Wardell, more

Acta Crystallographica Section C > 69 > 5 > 549 - 555

The compounds N′‐benzylidene‐N‐methylpyrazine‐2‐carbohydrazide, C₁₃H₁₂N₄O, (IIa), N′‐(2‐methoxybenzylidene)‐N‐methylpyrazine‐2‐carbohydrazide, C₁₄H₁₄N₄O₂, (IIb), N′‐(4‐cyanobenzylidene)‐N‐methylpyrazine‐2‐carbohydrazide dihydrate, C₁₄H₁₁N₅O·2H₂O, (IIc), N‐methyl‐N′‐(2‐nitrobenzylidene)pyrazine‐2‐carbohydrazide, C₁₃H₁₁N₅O₃, (IId), and N‐methyl‐N′‐(4‐nitrobenzylidene)pyrazine‐2‐carbohydrazide, C₁₃H₁₁...

article

Three 2‐(methysulfanyl)nicotinamides

Ligia R. Gomes, John Nicolson Low, James L. Wardell, Alessandra C. Pinheiro, more

Acta Crystallographica Section C > 69 > 3 > 293 - 298

The molecular conformations of three N‐alkyl‐2‐(methylsulfanyl)nicotinamide derivatives, namely N‐cyclohexyl‐2‐(methylsulfanyl)nicotinamide, C₁₃H₁₈N₂OS, (I), N‐isopropyl‐2‐(methylsulfanyl)nicotinamide, C₁₀H₁₄N₂OS, (II), in which there are two molecules in the asymmetric unit which were chosen to form a hydrogen‐bonded pair, and N‐(2‐hydroxyethyl)‐2‐(methylsulfanyl)nicotinamide dihydrate, C₉H₁₂N₂O₂...

article

Contrasting the supramolecular structures in the isomeric pair 5‐bromo‐3‐nitrosalicylaldehyde phenylhydrazone and 3‐bromo‐5‐nitrosalicylaldehyde phenylhydrazone

Ligia R. Gomes, John Nicolson Low, James L. Wardell

Acta Crystallographica Section C > 69 > 2 > 150 - 155

Isomeric 5‐bromo‐3‐nitrosalicylaldehyde phenylhydrazone and 3‐bromo‐5‐nitrosalicylaldehyde phenylhydrazone, C₁₃H₁₀BrN₃O₃, both crystallize with two molecules in the asymmetric unit. In both isomers, an intramolecular O—H...N hydrogen bond links the hydroxy group and the imine N atom. In the 5‐bromo‐3‐nitro isomer, there are two independent N—H...O hydrogen‐bonded chains, each molecule in the asymmetric...

article

Substituted 4‐alkoxy‐7‐Cl‐quinolines exhibiting π–π stacking

Ligia R. Gomes, John Nicolson Low, James L. Wardell, Laura N. de F. Cardoso, more

Acta Crystallographica Section C > 69 > 2 > 191 - 194

The molecules of 4‐allyloxy‐7‐chloroquinoline, C₁₂H₁₀ClNO, (I), 7‐chloro‐4‐methoxyquinoline, C₁₀H₈ClNO, (II), and 7‐chloro‐4‐ethoxyquinoline, C₁₁H₁₀ClNO, (III), are all planar. In all three structures, π–π interactions between the quinoline ring systems are generated by unit‐cell translations along the a axes, irrespective of space group. These structures are the first reported for 4‐alkoxyquinolines.

article

A low‐temperature polymorph of m‐quinquephenyl

Ligia R. Gomes, R. Alan Howie, John Nicolson Low, Ana S. M. C. Rodrigues, more

Acta Crystallographica Section C > 68 > 12 > o492 - o497

A low‐temperature polymorph of 1,1′:3′,1′′:3′′,1′′′:3′′′,1′′′′‐quinquephenyl (m‐quinquephenyl), C₃₀H₂₂, crystallizes in the space group P2₁/c with two molecules in the asymmetric unit. The crystal is a three‐component nonmerohedral twin. A previously reported room‐temperature polymorph [Rabideau, Sygula, Dhar & Fronczek (1993). Chem. Commun. pp. 1795–1797] also crystallizes with two molecules...

article

Experimental Support for the Role of Dispersion Forces in Aromatic Interactions

Carlos F. R. A. C. Lima, Marisa A. A. Rocha, Lígia R. Gomes, John N. Low, more

Chemistry – A European Journal > 18 > 29 > 8934 - 8943

Herein a core scaffold of 1‐phenylnaphthalenes and 1,8‐diphenylnaphthalenes with different substituents on the phenyl rings was used to study substituent effects on parallel‐displaced aromatic π⋅⋅⋅π interactions. The energetics of the interaction was evaluated in gas phase based on the standard molar enthalpies of formation, at T=298.15 K, for the compounds studied; these values were derived from...

article

Phase Stability Trend in Linear α-Polythiophene Oligomers

José C.S. Costa, Carlos F.R.A.C. Lima, Lígia R. Gomes, Bernd Schröder, more

The Journal of Physical Chemistry C > 2011 > 115 > 47 > 23543 - 23551

article

Structural and Thermodynamic Characterization of Polyphenylbenzenes

Carlos F. R. A. C. Lima, Marisa A. A. Rocha, André Melo, Lígia R. Gomes, more

The Journal of Physical Chemistry A > 2011 > 115 > 42 > 11876 - 11888

article

Structure and solid–liquid phase transition thermodynamics of N-(diethylaminothiocarbonyl)benzimido derivatives

Bernd Schröder, Ligia R. Gomes, John Nicolson Low, Luís M.N.B.F. Santos, more

Journal of Molecular Structure > 2011 > 1004 > 1-3 > 257-264

A set of three N-(diethylaminothiocarbonyl)benzimido derivatives was structurally characterized by solid state single crystal X-ray diffractometry. The temperature, standard molar enthalpies, and entropies of fusion were measured and derived using differential scanning calorimetry, including two more derivatives, whose structures have been published before. The compounds were further analysed by solid...

article

Nickel(II) complexes of N′-(2-thienylcarbonyl)thiocarbamates O-alkyl-esters: Structural and spectroscopic characterization and evaluation of their microbiological activities

Lígia R. Gomes, John Nicolson Low, Marisa A.A. Rocha, Luís M.N.B.F. Santos, more

Journal of Molecular Structure > 2011 > 990 > 1-3 > 86-94

In the present work a set of five Ni(II) complexes with general formula [Ni(L) ₂ ] and with HL=N-thenoylthiocarbamic-O-n-alkylylesters (n=2–6) has been prepared and characterized in solution by UV–vis and NMR spectroscopies. Three of them were also characterized in the solid state by X-ray diffractometry. The energy rotation of the thiophene ring of ligand was evaluated theoretically. Liposomes...

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INFONA - science communication portal

Search results for: Ligia R. Gomes

Crystal structure of N‐(1,3‐benzothiazol‐2‐yl)‐4‐iodobenzene‐1‐sulfonohydrazide: the unexpected importance of l N‐H⋅⋅⋅π and I⋅⋅⋅π interactions on the supramolecular arrangement

Crystal structures and Hirshfeld surface analyses of the hemi-hydrate and hemi-methanolate of 3α-hydroxy-16α-bromoandrostan-17-one, 3: Differences in supramolecular arrangements

Structural elucidation of a series of benzamide derivatives

Structural elucidation of a series of 6‐methyl‐3‐carboxamidocoumarins

Synthesis of 6-aryl/heteroaryl-4-oxo-4H-chromene-2-carboxylic ethyl ester derivatives

Synthesis and characterisation of new 4-oxo-N-(substituted-thiazol-2-yl)-4H-chromene-2-carboxamides as potential adenosine receptor ligands

Porphyrin interaction with the membrane: the use of membrane models to elicit the diverse partition in normal and neoplastic tissue

Design, synthesis and biological evaluation of (E)-2-(2-arylhydrazinyl)quinoxalines, a promising and potent new class of anticancer agents

4‐Oxo‐N‐phenyl‐4H‐chromene‐2‐carboxamide and of a new polymorph of 7‐methoxy‐4‐oxo‐N‐p‐tolyl‐4H‐chromene‐2‐carboxamide and its hemihydrate

Two polymorphs of N‐(2‐methoxyphenyl)‐4‐oxo‐4H‐chromone‐3‐carboxamide

Five N′‐benzylidene‐N‐methylpyrazine‐2‐carbohydrazides

Three 2‐(methysulfanyl)nicotinamides

Contrasting the supramolecular structures in the isomeric pair 5‐bromo‐3‐nitrosalicylaldehyde phenylhydrazone and 3‐bromo‐5‐nitrosalicylaldehyde phenylhydrazone

Substituted 4‐alkoxy‐7‐Cl‐quinolines exhibiting π–π stacking

A low‐temperature polymorph of m‐quinquephenyl

Experimental Support for the Role of Dispersion Forces in Aromatic Interactions

Phase Stability Trend in Linear α-Polythiophene Oligomers

Structural and Thermodynamic Characterization of Polyphenylbenzenes

Structure and solid–liquid phase transition thermodynamics of N-(diethylaminothiocarbonyl)benzimido derivatives

Nickel(II) complexes of N′-(2-thienylcarbonyl)thiocarbamates O-alkyl-esters: Structural and spectroscopic characterization and evaluation of their microbiological activities

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