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Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ(3) O,N (1),S}cadmium(II) with an unknown solvent mol­ecule

The reaction between the racemic mixture of the camphor-4-phenyl­thio­semicarbazone derivative and cadmium acetate dihydrate yielded the title compound, [Cd(C(17)H(20)N(3)OS)(2)]. The Cd(II) ion is six-coordinated in a distorted octa­hedral environment by two deprotonated thio­semicarbazone ligands...

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Autores principales: Nogueira, Vanessa Senna, Bresolin, Leandro, Näther, Christian, Jess, Inke, de Oliveira, Adriano Bof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719850/
https://www.ncbi.nlm.nih.gov/pubmed/26870441
http://dx.doi.org/10.1107/S2056989015021428
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author Nogueira, Vanessa Senna
Bresolin, Leandro
Näther, Christian
Jess, Inke
de Oliveira, Adriano Bof
author_facet Nogueira, Vanessa Senna
Bresolin, Leandro
Näther, Christian
Jess, Inke
de Oliveira, Adriano Bof
author_sort Nogueira, Vanessa Senna
collection PubMed
description The reaction between the racemic mixture of the camphor-4-phenyl­thio­semicarbazone derivative and cadmium acetate dihydrate yielded the title compound, [Cd(C(17)H(20)N(3)OS)(2)]. The Cd(II) ion is six-coordinated in a distorted octa­hedral environment by two deprotonated thio­semicarbazone ligands acting as an O,N,S-donor in a tridentate chelating mode, forming five-membered chelate rings. In the crystal, the mol­ecules are connected via pairs of N—H⋯S and C—H⋯S inter­actions, building centrosymmetric dimers. One of the ligands is disordered in the campher unit over two sets of sites with site-occupancy factors of 0.7 and 0.3. The structure contains additional solvent mol­ecules, which are disordered and for which no reasonable split model was found. Therefore, the data were corrected for disordered solvent using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON. Since the disordered solvents were removed by data processing, and the number of solvent entities was a suggestion only, they were not considered in the chemical formula and subsequent chemical or crystal information.
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spelling pubmed-47198502016-02-11 Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ(3) O,N (1),S}cadmium(II) with an unknown solvent mol­ecule Nogueira, Vanessa Senna Bresolin, Leandro Näther, Christian Jess, Inke de Oliveira, Adriano Bof Acta Crystallogr E Crystallogr Commun Data Reports The reaction between the racemic mixture of the camphor-4-phenyl­thio­semicarbazone derivative and cadmium acetate dihydrate yielded the title compound, [Cd(C(17)H(20)N(3)OS)(2)]. The Cd(II) ion is six-coordinated in a distorted octa­hedral environment by two deprotonated thio­semicarbazone ligands acting as an O,N,S-donor in a tridentate chelating mode, forming five-membered chelate rings. In the crystal, the mol­ecules are connected via pairs of N—H⋯S and C—H⋯S inter­actions, building centrosymmetric dimers. One of the ligands is disordered in the campher unit over two sets of sites with site-occupancy factors of 0.7 and 0.3. The structure contains additional solvent mol­ecules, which are disordered and for which no reasonable split model was found. Therefore, the data were corrected for disordered solvent using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON. Since the disordered solvents were removed by data processing, and the number of solvent entities was a suggestion only, they were not considered in the chemical formula and subsequent chemical or crystal information. International Union of Crystallography 2015-11-21 /pmc/articles/PMC4719850/ /pubmed/26870441 http://dx.doi.org/10.1107/S2056989015021428 Text en © Nogueira et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Nogueira, Vanessa Senna
Bresolin, Leandro
Näther, Christian
Jess, Inke
de Oliveira, Adriano Bof
Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ(3) O,N (1),S}cadmium(II) with an unknown solvent mol­ecule
title Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ(3) O,N (1),S}cadmium(II) with an unknown solvent mol­ecule
title_full Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ(3) O,N (1),S}cadmium(II) with an unknown solvent mol­ecule
title_fullStr Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ(3) O,N (1),S}cadmium(II) with an unknown solvent mol­ecule
title_full_unstemmed Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ(3) O,N (1),S}cadmium(II) with an unknown solvent mol­ecule
title_short Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ(3) O,N (1),S}cadmium(II) with an unknown solvent mol­ecule
title_sort crystal structure of cis-bis­{4-phenyl-1-[(3r)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ(3) o,n (1),s}cadmium(ii) with an unknown solvent mol­ecule
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719850/
https://www.ncbi.nlm.nih.gov/pubmed/26870441
http://dx.doi.org/10.1107/S2056989015021428
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