Diego M. Gil
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View article: The 1D Hybrid Material Allylimidazolium Iodoantimonate: A Combined Experimental and Theoretical Study
The 1D Hybrid Material Allylimidazolium Iodoantimonate: A Combined Experimental and Theoretical Study Open
The one-dimensional (1D) Sb(III)-based organic–inorganic hybrid perovskite (AImd)21∞[SbI5] (AImd = 1-allylimidazolium) crystallizes in the orthorhombic, centrosymmetric space group Pnma. The structure consists of corner-sharing [SbI6] octa…
View article: Revisiting Metal Dihalide Complexes with Phosphine Ligands: Isostructurality, Steric Effects, Anagostic Interactions, Crystal Voids, and Energetic Calculations
Revisiting Metal Dihalide Complexes with Phosphine Ligands: Isostructurality, Steric Effects, Anagostic Interactions, Crystal Voids, and Energetic Calculations Open
The crystal structures of seven metal dihalide complexes with triphenylphosphine (PPh₃) and two with tribenzylphosphine (PBz₃) have been reanalyzed. The studied complexes include [FeCl₂(PPh₃)₂], [CoCl₂(PPh₃)₂], [CoBr₂(PPh₃)₂], [NiCl₂(PPh₃)…
View article: Synthesis and X-ray characterization of two new 1,4-benzoxazine derivatives: Structural analysis and DFT calculations
Synthesis and X-ray characterization of two new 1,4-benzoxazine derivatives: Structural analysis and DFT calculations Open
The synthesis and XRD characterization of two new 1,4-benzoxazine derivatives (3a-5a) namely ethyl‐6‐nitro‐3a‐(p‐tolylamino)‐1,2,3,3a‐tetrahydrobenzo[b]cyclopenta[e][1,4]oxa-zine‐9a(9H)‐carboxylate (3a) and methyl-6,10b-dimethyl-5a,6,10b,1…
View article: CCDC 2241333: Experimental Crystal Structure Determination
CCDC 2241333: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2241334: Experimental Crystal Structure Determination
CCDC 2241334: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 1009305: Experimental Crystal Structure Determination
CCDC 1009305: Experimental Crystal Structure Determination Open
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 …
View article: Editorial: Experimental and theoretical investigation of non-covalent interactions in potential bioactive compounds
Editorial: Experimental and theoretical investigation of non-covalent interactions in potential bioactive compounds Open
EDITORIAL article Front. Chem., 13 November 2023Sec. Supramolecular Chemistry Volume 11 - 2023 | https://doi.org/10.3389/fchem.2023.1326955
View article: CCDC 2143902: Experimental Crystal Structure Determination
CCDC 2143902: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2143901: Experimental Crystal Structure Determination
CCDC 2143901: Experimental Crystal Structure Determination Open
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 …
View article: Supramolecular Assemblies in Pyridine- and Pyrazole-Based Coordination Compounds of Co(II) and Ni(II): Characterization, Hirshfeld Analysis and Theoretical Studies
Supramolecular Assemblies in Pyridine- and Pyrazole-Based Coordination Compounds of Co(II) and Ni(II): Characterization, Hirshfeld Analysis and Theoretical Studies Open
Two new Ni(II) and Co(II) coordination compounds, viz., [Ni(H2O)5(DMAP)](IPhth)·2H2O (1) and [Co(Hdmpz)4(H2O)2]Cl2 (2) (where DMAP = 4-dimethylaminopyridine, IPhth = Isophthalate, Hdmpz = 3,5-dimethylpyrazole),were synthesized and characte…
View article: Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions
Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions Open
A detailed quantitative analysis of the weak noncovalent interactions in the X-ray structures of 1,3,4-oxadiazoles has been performed by using the DFT calculations.
View article: CCDC 2062498: Experimental Crystal Structure Determination
CCDC 2062498: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2062500: Experimental Crystal Structure Determination
CCDC 2062500: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2062499: Experimental Crystal Structure Determination
CCDC 2062499: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 1934941: Experimental Crystal Structure Determination
CCDC 1934941: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 1861399: Experimental Crystal Structure Determination
CCDC 1861399: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2125119: Experimental Crystal Structure Determination
CCDC 2125119: Experimental Crystal Structure Determination Open
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 …
View article: CCDC 2157792: Experimental Crystal Structure Determination
CCDC 2157792: Experimental Crystal Structure Determination Open
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 …
View article: Tetramethylammonium Cation: Directionality and Covalency in Its Interactions with Halide Ions
Tetramethylammonium Cation: Directionality and Covalency in Its Interactions with Halide Ions Open
The degree of interpenetration of the van der Waals crusts of two atoms, represented by a penetration index, is defined to better quantify the meaning of the nonbonding contact distances between two atoms, which should allow us to compare …
View article: CCDC 2089299: Experimental Crystal Structure Determination
CCDC 2089299: Experimental Crystal Structure Determination Open
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 …