TY - GEN AU - Dabuleanu, Dragos AU - Bauza, Antonio AU - Ortega-Castro, Joaquin AU - Escudero-Adan, Eduardo C AU - Ballester, Pablo AU - Frontera, Antonio PY - 2020 DO - 10.3390/molecules25020285 UR - https://hdl.handle.net/20.500.12105/22938 AB - This manuscript reports the improved synthesis of the alpha,alpha,alpha,alpha isomer of tetra-p-iodophenyl tetra-methyl calix[4]pyrrole and the X-ray characterization of two solvate polymorphs. In the solid state, the calix[4]pyrrole receptor adopts... LA - eng PB - Multidisciplinary Digital Publishing Institute (MDPI) KW - Polymorphs KW - Halogen bonds KW - Supramolecular chemistry KW - Lattice energies KW - Density Functional Theory (DFT) calculations KW - Molecular Structure KW - Crystallography, X-Ray KW - Models, Molecular KW - Pyrroles KW - Isomerism TI - Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the alpha,alpha,alpha,alpha, Isomer of Tetra-p-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds TY - research article ER -