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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4719850 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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