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Stacking interactions of the methyl­ated cyclo­pentadienyl ligands in the crystal structures of transition metal complexes

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2020
Authors
Malenov, Dušan P.
Blagojević Filipović, Jelena P.
Zarić, Snežana D.
Article (Published version)
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Abstract
In the crystal structures of methylated cyclopentadienyl (Cp) complexes (MeCp, Me4Cp and Me5Cp) deposited in the Cambridge Structural Database, certain orientation types of stacked contacts can be noted as the most frequent. These orientation preferences can be well explained by the matching of oppositely charged regions of electrostatic potential. Parallel displaced stacking, large offset stacking and C - H⋯π interactions are the dominant interaction types that are responsible for the arrangement in the crystal structures of stacked methylated Cp complexes.
Keywords:
C - H⋯π interactions / cyclopentadienyl (Cp) complexes / stacking interactions
Source:
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 2020, 76, 2, 252-258
Publisher:
  • International Union of Crystallography
Projects:
  • Noncovalent interactions of pi-systems and their role in molecular recognition (RS-172065)

DOI: 10.1107/S2052520620002206

ISSN: 2052-5206

WoS: 000525346200010

Scopus: 2-s2.0-85083085574
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1
URI
http://cherry.chem.bg.ac.rs/handle/123456789/4029
Collections
  • Publikacije
  • Publikacije
Institution
Hemijski fakultet
TY  - JOUR
AU  - Malenov, Dušan P.
AU  - Blagojević Filipović, Jelena P.
AU  - Zarić, Snežana D.
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4029
AB  - In the crystal structures of methylated cyclopentadienyl (Cp) complexes (MeCp, Me4Cp and Me5Cp) deposited in the Cambridge Structural Database, certain orientation types of stacked contacts can be noted as the most frequent. These orientation preferences can be well explained by the matching of oppositely charged regions of electrostatic potential. Parallel displaced stacking, large offset stacking and C - H⋯π interactions are the dominant interaction types that are responsible for the arrangement in the crystal structures of stacked methylated Cp complexes.
PB  - International Union of Crystallography
T2  - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
T1  - Stacking interactions of the methyl­ated cyclo­pentadienyl ligands in the crystal structures of transition metal complexes
VL  - 76
IS  - 2
SP  - 252
EP  - 258
DO  - 10.1107/S2052520620002206
ER  - 
@article{
author = "Malenov, Dušan P. and Blagojević Filipović, Jelena P. and Zarić, Snežana D.",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/4029",
abstract = "In the crystal structures of methylated cyclopentadienyl (Cp) complexes (MeCp, Me4Cp and Me5Cp) deposited in the Cambridge Structural Database, certain orientation types of stacked contacts can be noted as the most frequent. These orientation preferences can be well explained by the matching of oppositely charged regions of electrostatic potential. Parallel displaced stacking, large offset stacking and C - H⋯π interactions are the dominant interaction types that are responsible for the arrangement in the crystal structures of stacked methylated Cp complexes.",
publisher = "International Union of Crystallography",
journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials",
title = "Stacking interactions of the methyl­ated cyclo­pentadienyl ligands in the crystal structures of transition metal complexes",
volume = "76",
number = "2",
pages = "252-258",
doi = "10.1107/S2052520620002206"
}
Malenov DP, Blagojević Filipović JP, Zarić SD. Stacking interactions of the methyl­ated cyclo­pentadienyl ligands in the crystal structures of transition metal complexes. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2020;76(2):252-258
Malenov, D. P., Blagojević Filipović, J. P.,& Zarić, S. D. (2020). Stacking interactions of the methyl­ated cyclo­pentadienyl ligands in the crystal structures of transition metal complexes.
Acta Crystallographica Section B: Structural Science, Crystal Engineering and MaterialsInternational Union of Crystallography., 76(2), 252-258.
https://doi.org/10.1107/S2052520620002206
Malenov Dušan P., Blagojević Filipović Jelena P., Zarić Snežana D., "Stacking interactions of the methyl­ated cyclo­pentadienyl ligands in the crystal structures of transition metal complexes" 76, no. 2 (2020):252-258,
https://doi.org/10.1107/S2052520620002206 .

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