European Journal of Chemistry 2020, 11(4), 314-318 | doi: https://doi.org/10.5155/eurjchem.11.4.314-318.2022 | Get rights and content

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The incidence of kryptoracemic crystallization in [CoIII(tren)XY]+ compounds: The case of cis-[CoIII(tren)Cl2]Cl·H2O


Mina Mikhael (1) orcid , Mary Hanna (2) orcid , Evana Halaka (3) orcid , Ivan Bernal (4) orcid , Roger Lalancette (5,*) orcid

(1) Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, 73 Warren St., Newark, NJ, 07102 USA
(2) Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, 73 Warren St., Newark, NJ, 07102 USA
(3) Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, 73 Warren St., Newark, NJ, 07102 USA
(4) Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Private Bag 3, 2050 Johannesburg ZA South Africa
(5) Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, 73 Warren St., Newark, NJ, 07102 USA
(*) Corresponding Author

Received: 11 Aug 2020 | Revised: 09 Oct 2020 | Accepted: 10 Oct 2020 | Published: 31 Dec 2020 | Issue Date: December 2020

Abstract


We are evaluating the proposition that compounds with pronounced tendencies to crystallize as kryptoracemates contain molecular fragments responsible for such a property. Why Sohncke space groups display such a tendency is not currently known, but one such fragment is the [tris(2-aminoethyl)amine-N,N',N'',N'''] ligand when attached to cobalt(III). Therefore, proceeding to test the concept further, we examined the title compound and found a previously unknown kryptoracemic species, described in what follows. It seems then that the prescription has some merit and should be examined further inasmuch as guidelines for the occurrence of kryptoracemic crystallization are scant, if any exist. Crystal data for C6H20Cl3CoN4O: monoclinic, space group P21 (no. 4), a = 7.6672(3) Å, b = 15.7153(5) Å, c = 10.7170(4) Å, β = 92.964(2)°, V = 1289.59(8) Å3, Z = 4, T = 100(2) K, μ(CuKα) = 16.026 mm-1, Dcalc = 1.697 g/cm3, 13406 reflections measured (8.26° ≤ 2Θ ≤ 133.402°), 3976 unique (Rint = 0.0300, Rsigma = 0.0519) which were used in all calculations. The final R1 was 0.0220 (I > 2σ(I)) and wR2 was 0.0459 (all data).


Keywords


Flack parameter; Kryptoracemates; Metal compounds; Molecular overlays; Molecular conformations; Tris(2-aminoethylamine) ligand

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DOI: 10.5155/eurjchem.11.4.314-318.2022

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Funding information


The National Science Foundation for NSF-CRIF Grant No. 0443538 for part of the purchase of the X-ray diffractometer.

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Supporting information


The Supplementary Material for this article can be found online at: Supplementary files

How to cite


Mikhael, M.; Hanna, M.; Halaka, E.; Bernal, I.; Lalancette, R. Eur. J. Chem. 2020, 11(4), 314-318. doi:10.5155/eurjchem.11.4.314-318.2022
Mikhael, M.; Hanna, M.; Halaka, E.; Bernal, I.; Lalancette, R. The incidence of kryptoracemic crystallization in [CoIII(tren)XY]+ compounds: The case of cis-[CoIII(tren)Cl2]Cl·H2O. Eur. J. Chem. 2020, 11(4), 314-318. doi:10.5155/eurjchem.11.4.314-318.2022
Mikhael, M., Hanna, M., Halaka, E., Bernal, I., & Lalancette, R. (2020). The incidence of kryptoracemic crystallization in [CoIII(tren)XY]+ compounds: The case of cis-[CoIII(tren)Cl2]Cl·H2O. European Journal of Chemistry, 11(4), 314-318. doi:10.5155/eurjchem.11.4.314-318.2022
Mikhael, Mina, Mary Hanna, Evana Halaka, Ivan Bernal, & Roger Lalancette. "The incidence of kryptoracemic crystallization in [CoIII(tren)XY]+ compounds: The case of cis-[CoIII(tren)Cl2]Cl·H2O." European Journal of Chemistry [Online], 11.4 (2020): 314-318. Web. 27 Jan. 2021
Mikhael, Mina, Hanna, Mary, Halaka, Evana, Bernal, Ivan, AND Lalancette, Roger. "The incidence of kryptoracemic crystallization in [CoIII(tren)XY]+ compounds: The case of cis-[CoIII(tren)Cl2]Cl·H2O" European Journal of Chemistry [Online], Volume 11 Number 4 (31 December 2020)

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