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Combined DFT calculation, Hirshfeld surface analysis, and Energy framework study of non-covalent interactions in the crystal structure of (Z)-5-ethylidene-2-thiohydantoin determined by powder X-ray diffraction
ArticleAbstract: The thiohydantoin core is used in the synthesis and development of new drugs. Furthermore, the studyPalabras claves:Energy framework, Hirshfeld surface analysis, hydrogen bond patterns, NCI calculations, Powder X-ray diffraction, ThiohydantoinAutores:Brito I., Cárdenas A., Cisterna J., Delgado G.E., Luis E. Seijas, Luis Rincon, Marroquin G., Mora A.J.Fuentes:scopusCrystal structure of 2-thiohydantoin-L-isoleucine synthesized under solvent-free conditions
ArticleAbstract: The title compound with systematic name: (S)-5-secbutyl-2-thiohydantoin, is synthesized through a soPalabras claves:Crystal structure, Hydrogen bonds, ThiohydantoinAutores:Almeida R., Delgado G.E., Gonzalez T., Luis E. Seijas, Mora A.J.Fuentes:scopusInvestigating the stability of double head to tail dimers and ribbons in multicomponent crystals of cis-4-aminocyclohexanecarboxilic acid with water and oxalic acid
ArticleAbstract: The current contribution aims to investigate the stability of commonly occurring motifs present in cPalabras claves:Autores:Almeida R., Belandría L.N., Brunelli M., Delgado G.E., Edward E. Ávila, Fitch A.N., Luis E. Seijas, Miró A., Mora A.J.Fuentes:scopusStructural characterization of 2-amino-2-oxoacetic acid by x-ray powder diffraction and quantum chemistry
ArticleAbstract: 2-amino-2-oxoacetic acid, carbamoyl formic acid, or oxamic acid is an active pharmaceutical ingrediePalabras claves:Hydrogen bonding, Oxamic acid, PM7 calculation, Powder X-ray diffractionAutores:Belandría L.N., Delgado G.E., Guillen M., Luis E. Seijas, Mora A.J.Fuentes:scopusStructure and conformational analysis of a bidentate pro-ligand, C <inf>21</inf>H<inf>34</inf>N<inf>2</inf>S<inf>2</inf>, from powder synchrotron diffraction data and solid-state DFTB calculations
ArticleAbstract: The molecular and crystalline structure of ethyl 1′,2′, 3′,4′,4a′,5′,6′,7′- octahydrodispiro[cyclohePalabras claves:Autores:Brunelli M., Contreras R.R., Delgado G.E., Edward E. Ávila, Fitch A.N., Luis Rincon, Mora A.J.Fuentes:googlescopusStudy of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid
ArticleAbstract: Three new coordination polymers based on the combination of rctt-1,2,3,4-cyclobutanetretracarboxylicPalabras claves:Autores:Añez R., Bello L., Bricẽo A., Edward E. Ávila, Escalona A., Gonzalez T., Mora A.J., Quintero M.Fuentes:googlescopusStudy of the conversion of N-carbamoyl-L-proline to hydantoin-L-proline using powder synchrotron X-ray diffraction
ArticleAbstract: The solvent-free conversion of N-carbamoyl-L-proline to hydantoin-L-proline by direct heating at 470Palabras claves:Crystal structure, Hydantoin, Hydrogen bonding, Synchrotron radiation, X-ray powder diffractionAutores:Brunelli M., Delgado G.E., Fitch A.N., Luis E. Seijas, Mora A.J.Fuentes:scopusSynthesis, spectroscopic characterization, thermal analysis and X-ray diffraction study of two new complexes: Ni(II) L-leucinate and Ni(II) L-isoleucinate
ArticleAbstract: In this work is presented the synthesis and characterization of the metal complexesL-leucine-Ni (L-LPalabras claves:Powder X-ray diffraction, transition metal complexes, α-amino acidsAutores:Belandría L.N., Delgado G.E., Luis E. Seijas, Mora A.J., Vivas P.J.Fuentes:scopusTemperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid
ArticleAbstract: A temperature-controlled X-ray powder diffraction experiment, complemented with TGA and DSC analysisPalabras claves:Autores:Brunelli M., Delgado G.E., Edward E. Ávila, Fitch A.N., Mora A.J.Fuentes:googlescopusN-acetyl-5-isopropyl-2-tioxoimidazolidin-4-one: Synthesis, spectroscopic characterization, crystal structure, DFT calculations, Hirshfeld surface analysis and energy framework study
ArticleAbstract: Studies based on the role of non-covalent interactions in supramolecular structure of materials withPalabras claves:DFT calculations, Energy framework, Hirshfeld surface analysis, Hydrogen bonding patterns, Thiohydantoin, X-ray crystal structureAutores:Almeida R., Azotla-Cruz L., Brito I., Cárdenas A., Chacón C., Cisterna J., Delgado G.E., Luis E. Seijas, Mora A.J.Fuentes:scopus