An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
R factor = 0.037; wR factor = 0.094; data-to-parameter ratio = 15.3. In the title compound, [Cu(C... more R factor = 0.037; wR factor = 0.094; data-to-parameter ratio = 15.3. In the title compound, [Cu(C5H10NO2)(C12H8N2)(H2O)]-NO3 2H2O, the Cu II atom displays a distorted squarepyramidal coordination ( = 0.03) where the water molecule occupies the apical position and the base is defined by the N atom, one of the O atoms from the valinate ligand, and both phenanthroline N atoms. The phenanthroline chelate ring plane is slightly distorted from planarity (r.m.s. deviation = 0.0057 A ˚), whereas the five-membered ring formed by the valinate ligand presents an envelope conformation with the N atom being the flap atom. The crystal packing is stabilized by O—H O and N—H O hydrogen-bonding interactions, creating a three-dimensional network superstructure. Related literature For investigations related to anticancer compounds, see: Ruiz-Azuara (1996, 1997). For a description of the geometry of complexes with five-coordinate Cu II atoms, see: Rao et al.
Casiopeínas® are Cu (II) mixed chelate complexes that have shown cytotoxic, genotoxic and antineo... more Casiopeínas® are Cu (II) mixed chelate complexes that have shown cytotoxic, genotoxic and antineoplastic activity. In order to understand the interaction of these complexes with biomolecules, we have studied in this work the interaction of Casiopeína III-ia [CAS 223930-33-4] with adenine, cytosine, thymine and guanine. X-ray diffraction analysis shown the molecular structure of an adduct {[Cu(dmbipy)(acac)(H2O)]NO3(adenine)2·2H2O} where dmbipy=4,4′-dimethyl-2,2′-bipyridyne and acac=acetylacetonate,
When the nitrate form of [(4,4′-dimethyl-2,2′-bipyridine)(acetylacetonate) copper(II)] nitrate (C... more When the nitrate form of [(4,4′-dimethyl-2,2′-bipyridine)(acetylacetonate) copper(II)] nitrate (Casiopeı́na III ia) was reacted with methionine under two different reaction conditions: room temperature and reflux in methanol, it was found that substitution of acetylacetonate (acac) occurred and this process was monitored by UV–Vis spectrophotometry. Electron paramagnetic resonance (EPR) spectroscopy was used to analyse changes in the electronic environment of Cu(II) in
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
R factor = 0.037; wR factor = 0.094; data-to-parameter ratio = 15.3. In the title compound, [Cu(C... more R factor = 0.037; wR factor = 0.094; data-to-parameter ratio = 15.3. In the title compound, [Cu(C5H10NO2)(C12H8N2)(H2O)]-NO3 2H2O, the Cu II atom displays a distorted squarepyramidal coordination ( = 0.03) where the water molecule occupies the apical position and the base is defined by the N atom, one of the O atoms from the valinate ligand, and both phenanthroline N atoms. The phenanthroline chelate ring plane is slightly distorted from planarity (r.m.s. deviation = 0.0057 A ˚), whereas the five-membered ring formed by the valinate ligand presents an envelope conformation with the N atom being the flap atom. The crystal packing is stabilized by O—H O and N—H O hydrogen-bonding interactions, creating a three-dimensional network superstructure. Related literature For investigations related to anticancer compounds, see: Ruiz-Azuara (1996, 1997). For a description of the geometry of complexes with five-coordinate Cu II atoms, see: Rao et al.
Casiopeínas® are Cu (II) mixed chelate complexes that have shown cytotoxic, genotoxic and antineo... more Casiopeínas® are Cu (II) mixed chelate complexes that have shown cytotoxic, genotoxic and antineoplastic activity. In order to understand the interaction of these complexes with biomolecules, we have studied in this work the interaction of Casiopeína III-ia [CAS 223930-33-4] with adenine, cytosine, thymine and guanine. X-ray diffraction analysis shown the molecular structure of an adduct {[Cu(dmbipy)(acac)(H2O)]NO3(adenine)2·2H2O} where dmbipy=4,4′-dimethyl-2,2′-bipyridyne and acac=acetylacetonate,
When the nitrate form of [(4,4′-dimethyl-2,2′-bipyridine)(acetylacetonate) copper(II)] nitrate (C... more When the nitrate form of [(4,4′-dimethyl-2,2′-bipyridine)(acetylacetonate) copper(II)] nitrate (Casiopeı́na III ia) was reacted with methionine under two different reaction conditions: room temperature and reflux in methanol, it was found that substitution of acetylacetonate (acac) occurred and this process was monitored by UV–Vis spectrophotometry. Electron paramagnetic resonance (EPR) spectroscopy was used to analyse changes in the electronic environment of Cu(II) in
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