0000000001299429
AUTHOR
Gustavo Portalone
Evidence of the Facile Hydride and Enolate Addition to the Imine Bond of an Aluminum−Salophen Complex
The isolation of complexes 2 and 3, unambiguously characterized by single-crystal X-ray diffraction, demonstrates that nucleophilic additions to the aluminum-coordinated imino bond of salophen complex 1 can be achieved under very mild conditions.
A Novel 1D-AF Hybrid Organic-Inorganic Chromium(II) Methyl Phosphonate Dihydrate: Synthesis, X-Ray Crystal and Molecular Structure, and Magnetic Properties
Light-blue crystals of chromium(II) methyl phosphonate dihydrate, [Cr(CH(3)PO(3))(H(2)O)].H(2)O, were obtained in water by mixing filtered solutions of methylphosphonic acid and chromium(II) chloride in the presence of urea in an inert atmosphere. The compound was characterized by elemental analysis, TGA-DSC, X-ray crystallography, magnetic measurements, and UV-visible and FT-IR spectroscopies. The crystal and molecular structures (orthorhombic Pnma (no. 62): a = 4.4714(5) A, b = 6.8762(7) A, c = 19.180(2) A, Z = 4) have been solved using single-crystal X-ray diffraction. The chromium(II) ion is six-coordinated by oxygens (4 + 2) to form an elongated octahedron, with the four equatorial oxy…
Role of Weak Hydrogen Bonds and Halogen Bonds in 5-Halo-1,3-dimethyluracils and Their Cocrystals : A Combined Experimental and Computational Study
Seven single crystals containing either N,N-dimethyluracil (DMHU) or one of its 5-halogenated derivatives (DMXU; X = F, Cl, Br, I) were prepared using N,N-dimethylformamide as the crystallization solvent. Single crystal X-ray diffraction and quantum chemical calculations carried out at the spin component scaled local MP2 level of theory were then used to study the intramolecular halogen and nonconventional hydrogen bonds present in the structures. The results were compared to and contrasted with the previously reported data for uracil and its halogenated derivatives. In particular, the intermolecular interactions in DMIU were compared to the halogen and hydrogen bonds in 5-iodouracil that, …
6-Methyluracil: a redetermination of polymorph (II)
6-Methyluracil, C5H6N2O2, exists in two crystalline phases: form (I), monoclinic, space group P21/c [Reck et al. (1988). Acta Cryst. A44, 417–421] and form (II), monoclinic, space group C2/c [Leonidov et al. (1993). Russ. J. Phys. Chem. 67, 2220–2223]. The structure of polymorph (II) has been redetermined providing a significant increase in the precision of the derived geometric parameters. In the crystal, molecules form ribbons approximately running parallel to the c-axis direction through N—H...O hydrogen bonds. The radical differences observed between the crystal packing of the two polymorphs may be responsible in form (II) for an increase in the contribution of the polar canonical forms…
Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor
Hexamethylenetetramine (HMTA) and N-haloimides form two types of short (imide)X···N and X–X···N (X = Br, I) halogen bonds. Nucleophilic substitution or ligand-exchange reaction on the peripheral X of X–X···N with the chloride of N-chlorosuccinimide lead to Cl–X···N halogen-bonded complexes. The 1:1 complexation of HMTA and ICl manifests the shortest I···N halogen bond [2.272(5) Å] yet reported for an HMTA acceptor. Two halogen-bonded organic frameworks are prepared using 1:4 molar ratio of HMTA and N-bromosuccinimide, each with a distinct channel shape, one possessing oval and the other square grid. The variations in channel shapes are due to tridentate and tetradentate (imide)Br···N coordi…
Role of Weak Hydrogen Bonds and Halogen Bonds in 5-Halo-1,3-dimethyluracils and Their Cocrystals—A Combined Experimental and Computational Study
Seven single crystals containing either N,N-dimethyluracil (DMHU) or one of its 5-halogenated derivatives (DMXU; X = F, Cl, Br, I) were prepared using N,N-dimethylformamide as the crystallization solvent. Single crystal X-ray diffraction and quantum chemical calculations carried out at the spin component scaled local MP2 level of theory were then used to study the intramolecular halogen and nonconventional hydrogen bonds present in the structures. The results were compared to and contrasted with the previously reported data for uracil and its halogenated derivatives. In particular, the intermolecular interactions in DMIU were compared to the halogen and hydrogen bonds in 5-iodouracil that, …
Multifacial Recognition in Binary and Ternary Cocrystals from 5-Halouracil and Aminoazine Derivatives
A systematic analysis using single crystal X-ray diffraction was performed to explore the role exerted by potential intercomponent proton-transfer reactions in the supramolecular structures of A–B cocrystals formed by 5-haloderivatives of uracil (A), coupled with 2-aminoadenine simulants (aminoazines, B). Twelve new heterodimers were synthesized in different stoichiometries and cocrystallized by solvent cogrinding followed by solution crystallization. In the binary cocrystals, uracil or 1-methyluracil with halide modification at the 5 position (F, Cl, Br, I) was coupled with amino-aromatic N-heterocycles (melamine, 2,4,6-triaminopyrimidine, 2,6-diaminopyridine) as a multivalent site for pyr…
CCDC 1839830: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 2041029: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041028: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1839834: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 2041027: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041025: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1426934: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 1839827: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 1839837: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 2041026: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1426935: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 1839832: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 1839833: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 1426933: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 2041018: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041031: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041032: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041019: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1839826: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 2041024: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 2041020: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1839836: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 2041022: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1426930: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 1839838: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 1426936: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 1839828: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 2041023: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1839835: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 1839829: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 1426932: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 2041030: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595
CCDC 1426931: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 1839831: Experimental Crystal Structure Determination
Related Article: Gustavo Portalone, Kari Rissanen|2018|Cryst.Growth Des.|18|5904|doi:10.1021/acs.cgd.8b00662
CCDC 2041021: Experimental Crystal Structure Determination
Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595