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Crystal Structure and Hirshfeld Surface Analysis of Potassium sym-fac-Bis(N-methyliminodiacetato)chromate(III)
Corresponding Author(s) : Jong-Ha Choi
Asian Journal of Chemistry,
Vol. 30 No. 3 (2018): Vol 30 Issue 3
Abstract
The structure of K[Cr(C5H7NO4)2] (C5H7NO4 is methyliminodiacetate; mida) was confirmed from synchrotron X-ray data at 173 K. The complex crystallized in the space group C2/c of the monoclinic system with four mononuclear formula units in a cell of dimensions a = 16.875(3), b = 6.3970(3), c = 13.784(3) Å and b = 113.81(3)°. The Cr(III) ion is located on a center of symmetry with one independent Cr–N bond length of 2.0740 (14) Å and two Cr–O bond lengths of 1.9547 (12) and 1.9661 (12) Å. The Cr(III) ion is coordinated by two N atoms and four O atoms of symmetrical-facial mida ligands, displaying a distorted octahedral geometry. Hirshfeld surface analysis with 2D fingerprint plots revealed that the O···H, H···H and O···K interactions are the main intermolecular interactions. The crystal structure is stabilized by the O···H, H···H and O···K interactions among potassium cation, H atoms and O atoms of carboxylate group from neighbouring mida groups.
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- D. Mootz and H. Wunderlich, Acta Crystallogr. B, 36, 445 (1980); https://doi.org/10.1107/S0567740880003469.
- H. Li, D.-J. Xu and K.-L. Yin, Acta Crystallogr. E, 59, m671 (2003); https://doi.org/10.1107/S1600536803016246.
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- D. Moon and J.-H. Choi, Acta Crystallogr. E, 72, 1190 (2016); https://doi.org/10.1107/S2056989016011804.
- D. Mootz and H. Wunderlich, Acta Crystallogr. B, 36, 721 (1980); https://doi.org/10.1107/S0567740880004281.
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- D. Moon and J.-H. Choi, Acta Crystallogr. E, 71, 210 (2015); https://doi.org/10.1107/S2056989015001152.
- R. Meier, M. Molinier, C. Anson, A. Powell, B. Kallies and R. van Eldik, Dalton Trans., 5506 (2006); https://doi.org/10.1039/b605056e.
- C.R. Groom, I.J. Bruno, M.P. Lightfoot and S.C. Ward, Acta Crystallogr. B, 72, 171 (2016); https://doi.org/10.1107/S2052520616003954.
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References
D. Mootz and H. Wunderlich, Acta Crystallogr. B, 36, 445 (1980); https://doi.org/10.1107/S0567740880003469.
H. Li, D.-J. Xu and K.-L. Yin, Acta Crystallogr. E, 59, m671 (2003); https://doi.org/10.1107/S1600536803016246.
J.-S. Suh, S.-J. Park, K.-W. Lee, I.-H. Suh, J.-H. Lee, J.-H. Song and M.-R. Oh, Acta Crystallogr. C, 53, 432 (1997); https://doi.org/10.1107/S0108270196013327.
D. Moon and J.-H. Choi, Acta Crystallogr. E, 72, 1190 (2016); https://doi.org/10.1107/S2056989016011804.
D. Mootz and H. Wunderlich, Acta Crystallogr. B, 36, 721 (1980); https://doi.org/10.1107/S0567740880004281.
D. Mootz and H. Wunderlich, Acta Crystallogr. B, 36, 1189 (1980); https://doi.org/10.1107/S0567740880005560.
D. Moon and J.-H. Choi, Acta Crystallogr. E, 71, 210 (2015); https://doi.org/10.1107/S2056989015001152.
R. Meier, M. Molinier, C. Anson, A. Powell, B. Kallies and R. van Eldik, Dalton Trans., 5506 (2006); https://doi.org/10.1039/b605056e.
C.R. Groom, I.J. Bruno, M.P. Lightfoot and S.C. Ward, Acta Crystallogr. B, 72, 171 (2016); https://doi.org/10.1107/S2052520616003954.
I.-H. Suh, J.-H. Lee, J.-H. Song, M.-R. Oh, J.-S. Suh, S.-J. Park and K.-W. Lee, J. Korean Phys. Soc., 29, 739 (1996).
R. Wernicke, H.-H. Schmidtke and P.E. Hoggard, Inorg. Chim. Acta, 24, 145 (1977); https://doi.org/10.1016/S0020-1693(00)93864-7.
J.W. Shin, K. Eom and D. Moon J. Synchrotron Rad., 23, 369 (2016); https://doi.org/10.1107/S1600577515021633.
Z. Otwinowski and W. Minor, ed.: C.W. Carter Jr. and R.M. Sweet, Methods in Enzymology, Academic Press, New York, Vol. 276, Part A pp. 307-326 (1997).
G.M. Sheldrick, Acta Crystallogr. A, 71, 3 (2015); https://doi.org/10.1107/S2053273314026370.
K. Brandenburg and H. Putz, DIAMOND-3, University of Bonn, Germany (2014).
M. Zabel, V.I. Pavlovskii and A.L. Poznyak, J. Struct. Chem., 50, 582 (2009); https://doi.org/10.1007/s10947-009-0090-3.
L.M. Shkol’nikova, N.V. Donchenko, A.L. Poznyak, N.M. Dyatlova and E.V. Zavodnik, Zh. Strukt. Khim, 27, 89 (1986).
C.F. Matta, J. Hernández-Trujillo, T.-H. Tang and R.F.W. Bader, Chem. Eur. J., 9, 1940 (2003); https://doi.org/10.1002/chem.200204626.
M.A. Spackman and D. Jayatilaka, CrystEngComm, 11, 19 (2009); https://doi.org/10.1039/B818330A.
M.J. Turner, J.J. McKinnon, S.K. Wolff, D.J. Grimwood, P.R. Spackman, D. Jayatilaka and M.A. Spackman, CrystalExplorer17, University of Western Australia (2017).
M.A. Spackman and J.J. McKinnon, CrystEngComm, 4, 378 (2002); https://doi.org/10.1039/B203191B.
D. Moon, S. Tanaka, T. Akitsu and J.-H. Choi, J. Mol. Struct., 1154, 338 (2018); https://doi.org/10.1016/j.molstruc.2017.10.066.