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Bis(catecholato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV)

Bis(benzene-1,2-diolato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV), [Ti(C(6)H(4)O(2))(2)(C(2)H(6)OS)(2)], crystallizes with two crystallographically independent mol­ecules in the space group P2(1)/c emulating ortho­rhom­bic Pbca symmetry (β = 90.0445 (9)°]. The two mol­ecules are related by p...

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Autores principales: Hewage, Nisansala, Mastriano, Carolyn, Brückner, Christian, Zeller, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8983984/
https://www.ncbi.nlm.nih.gov/pubmed/35492266
http://dx.doi.org/10.1107/S2056989022002638
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author Hewage, Nisansala
Mastriano, Carolyn
Brückner, Christian
Zeller, Matthias
author_facet Hewage, Nisansala
Mastriano, Carolyn
Brückner, Christian
Zeller, Matthias
author_sort Hewage, Nisansala
collection PubMed
description Bis(benzene-1,2-diolato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV), [Ti(C(6)H(4)O(2))(2)(C(2)H(6)OS)(2)], crystallizes with two crystallographically independent mol­ecules in the space group P2(1)/c emulating ortho­rhom­bic Pbca symmetry (β = 90.0445 (9)°]. The two mol­ecules are related by pseudo-glide symmetry, broken by modulation of each one catecholate and dimethyl sulfoxide (DMSO) ligand. Twinning by pseudomerohedry was observed [twin ratio 0.5499 (7):0.4401 (7)]. Complex 3 was obtained by heating of diprotonated titanium tris-catecholate precursor 2(H) in DMSO, by formal displacement of a catechol mol­ecule by two DMSO mol­ecules. Complex 3 is just the second heteroleptic, mono-nuclear, neutral bis-catecholate complex with TiO(6) metal coordination, the only other one being its bis-DMF analogue 6. The two mol­ecules of 3 exhibit a distorted octa­hedral geometry. The geometry and distortions from ideal symmetry of 3 are discussed and compared to 6 and to cationic tris-catecholate titanium complexes.
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spelling pubmed-89839842022-04-28 Bis(catecholato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV) Hewage, Nisansala Mastriano, Carolyn Brückner, Christian Zeller, Matthias Acta Crystallogr E Crystallogr Commun Research Communications Bis(benzene-1,2-diolato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV), [Ti(C(6)H(4)O(2))(2)(C(2)H(6)OS)(2)], crystallizes with two crystallographically independent mol­ecules in the space group P2(1)/c emulating ortho­rhom­bic Pbca symmetry (β = 90.0445 (9)°]. The two mol­ecules are related by pseudo-glide symmetry, broken by modulation of each one catecholate and dimethyl sulfoxide (DMSO) ligand. Twinning by pseudomerohedry was observed [twin ratio 0.5499 (7):0.4401 (7)]. Complex 3 was obtained by heating of diprotonated titanium tris-catecholate precursor 2(H) in DMSO, by formal displacement of a catechol mol­ecule by two DMSO mol­ecules. Complex 3 is just the second heteroleptic, mono-nuclear, neutral bis-catecholate complex with TiO(6) metal coordination, the only other one being its bis-DMF analogue 6. The two mol­ecules of 3 exhibit a distorted octa­hedral geometry. The geometry and distortions from ideal symmetry of 3 are discussed and compared to 6 and to cationic tris-catecholate titanium complexes. International Union of Crystallography 2022-03-15 /pmc/articles/PMC8983984/ /pubmed/35492266 http://dx.doi.org/10.1107/S2056989022002638 Text en © Hewage et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Hewage, Nisansala
Mastriano, Carolyn
Brückner, Christian
Zeller, Matthias
Bis(catecholato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV)
title Bis(catecholato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV)
title_full Bis(catecholato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV)
title_fullStr Bis(catecholato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV)
title_full_unstemmed Bis(catecholato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV)
title_short Bis(catecholato-κ(2) O,O′)bis­(dimethyl sulfoxide-κO)titanium(IV)
title_sort bis(catecholato-κ(2) o,o′)bis­(dimethyl sulfoxide-κo)titanium(iv)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8983984/
https://www.ncbi.nlm.nih.gov/pubmed/35492266
http://dx.doi.org/10.1107/S2056989022002638
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