0000000000410337
AUTHOR
Ines Bennour
Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]
This work investigates the meta-ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7-closo-C2B9H11)2]− anions and disordered [N(CH3)4]+ cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions. peerReviewed
Water soluble organometallic small molecules as promising antibacterial agents: synthesis, physical-chemical properties and biological evaluation to tackle bacterial infections
This work was supported by the Spanish Ministerio de Economia y Competitividad (PID2019-106832RB-100, and SAF2017-82261-P grant cofounded by the European Regional Development Fund) and the Generalitat de Catalunya (2017SGR1720). J. A. M. Xavier acknowledges DOC-FAM program under the Marie Sklodowska-Curie grant agreement N degrees 754397. A. B. Buades, M. Nuez and J. A. M. Xavier are enrolled in the PhD program of the UAB.
Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]
Abstract This work investigates the meta -ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7- closo -C 2 B 9 H 11 ) 2 ] − anions and disordered [N(CH 3 ) 4 ] + cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions.
CCDC 2149703: Experimental Crystal Structure Determination
Related Article: Ines Bennour, M. Núria Ramos, Miquel Nuez-Martínez, Jewel Ann Maria Xavier, Ana B. Buades, Reijo Sillanpää, Francesc Teixidor, Duane Choquesillo-Lazarte, Isabel Romero, Margarita Martinez-Medina, Clara Viñas|2022|Dalton Trans.|51|7188|doi:10.1039/D2DT01015A
CCDC 1527813: Experimental Crystal Structure Determination
Related Article: Ines Bennour, Matti Haukka, Francesc Teixidor, Clara Viñas, Ahlem Kabadou|2017|J.Organomet.Chem.|846|74|doi:10.1016/j.jorganchem.2017.05.047
CCDC 2149633: Experimental Crystal Structure Determination
Related Article: Ines Bennour, M. Núria Ramos, Miquel Nuez-Martínez, Jewel Ann Maria Xavier, Ana B. Buades, Reijo Sillanpää, Francesc Teixidor, Duane Choquesillo-Lazarte, Isabel Romero, Margarita Martinez-Medina, Clara Viñas|2022|Dalton Trans.|51|7188|doi:10.1039/D2DT01015A