Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]
Bennour, I., Haukka, M., Teixidor, F., Viñas, C., & Kabadou, A. (2017). Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]. Journal of Organometallic Chemistry, 846, 74-80. https://doi.org/10.1016/j.jorganchem.2017.05.047
Published in
Journal of Organometallic ChemistryDate
2017Copyright
© 2017 Elsevier B.V. This is a final draft version of an article whose final and definitive form has been published by Elsevier. Published in this repository with the kind permission of the publisher.
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.
Publisher
Elsevier SequoiaISSN Search the Publication Forum
0022-328XKeywords
Publication in research information system
https://converis.jyu.fi/converis/portal/detail/Publication/27022299
Metadata
Show full item recordCollections
Related items
Showing items with similar title or keywords.
-
A second solvatomorph of poly[[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium] : crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization
Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Golenya, Irina A.; Mulloev, Nurullo U. (International Union of Crystallography, 2021)The title compound, poly[triaquabis[4-N,N0 -(1,3,5-oxadiazinane-3,5-diyl)bis- (carbamoylmethanoato)]dinickel(II)tetrapotassium], [K4Ni2(C7H6N4O7)2- (H2O)3]n, is a second solvatomorph of poly[(4-N,N0 -(1,3,5-oxadiazinane-3,5- ... -
Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]
Plutenko, Maksym O.; Haukka, Matti; Husak,Alina O.; Iskenderov, Turganbay, S.; Mulloev, Nurullo U. (International Union of Crystallography (IUCr), 2021)The title compound, {[K4Ni2(C7H6N4O7)2]·4.8H2O}n, was obtained as a result of a template reaction between oxalohydrazidehydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed ... -
Synthesis, X-ray Structure, Conformational Analysis, and DFT Studies of a Giant s-Triazine bis-Schiff Base
Almarhoon, Zainab M.; Al-Zaben, Maha I.; Ben Bacha, Abir; Haukka, Matti; El-Faham, Ayman; Soliman, Saied M. (MDPI AG, 2021)The current work involves the synthesis of 2,2′-(6-(piperidin-1-yl)-1,3,5-triazine-2,4-diyl)bis(hydrazin-2-yl-1-ylidene))bis(methanylylidene))diphenol 4, characterization, and the DFT studies of the reported compound. The ... -
Synthesis and X-ray Crystal Structure of New Substituted 3-4′-Bipyrazole Derivatives : Hirshfeld Analysis, DFT and NBO Studies
Boraei, Ahmed T. A.; Haukka, Matti; Sarhan, Ahmed A. M.; Soliman, Saied M.; Al-Majid, Abdullah Mohammed; Barakat, Assem (MDPI AG, 2021)A new compounds named 3-4′-bipyrazoles 2 and 3 were synthesized in high chemical yield from a reaction of pyran-2,4-diketone 1 with aryl hydrazines under thermal conditions in MeOH. Compound 2 was unambiguously confirmed ... -
Efficient Consecutive Synthesis of Ethyl-2-(4-Aminophenoxy) Acetate, a Precursor for Dual GK and PPARγ Activators, X-ray Structure, Hirshfeld Analysis, and DFT Studies
Altowyan, Mezna Saleh; Soliman, Saied M.; Ismail, Magda M. F.; Haukka, Matti; Barakat, Assem; Ayoup, Mohammed Salah (MDPI AG, 2022)Herein, we report a facile synthesis of ethyl-2-(4-aminophenoxy)acetate 4 as a building synthon for novel dual hypoglycemic agents. This building template was synthesized by alkylation of 4-nitrophenol with ethyl bromo-acetate ...