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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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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. |
format | Online Article Text |
id | pubmed-8983984 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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