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Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κO (2))-4-phenylthiosemicarbazidato-κ(2) N (1),S](triphenylphosphane-κP)nickel(II)
In the title complex, [Ni(C(16)H(15)N(3)O(2)S)(C(18)H(15)P)], the Ni(II) atom has a distorted tetrahedral coordination geometry, comprised of N, S, O and P atoms of the tridentate thiosemicarbazide ligand and the P atom of the triphenylphosphane ligand. The benzene ring makes a dihedral angle of 53...
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/PMC4719848/ https://www.ncbi.nlm.nih.gov/pubmed/26870439 http://dx.doi.org/10.1107/S2056989015021660 |
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author | Karpagam, B. Chakkaravarthi, G. Rajagopal, G. |
author_facet | Karpagam, B. Chakkaravarthi, G. Rajagopal, G. |
author_sort | Karpagam, B. |
collection | PubMed |
description | In the title complex, [Ni(C(16)H(15)N(3)O(2)S)(C(18)H(15)P)], the Ni(II) atom has a distorted tetrahedral coordination geometry, comprised of N, S, O and P atoms of the tridentate thiosemicarbazide ligand and the P atom of the triphenylphosphane ligand. The benzene ring makes a dihedral angle of 53.08 (11)° with the phenyl ring of the phenylthiosemicarbazide moiety and dihedral angles of 73.69 (11), 20.38 (11) and 71.30 (11)° with the phenyl rings of triphenylphosphane ligand. A pair of N—H⋯N hydrogen bonds generates an R (2) (2)(8) ring graph-set motif. The ethoxy group is disordered over two positions, with site occupancies of 0.631 (9) and 0.369 (9). The molecular structure is stabilized by a weak intramolecular C—H⋯O hydrogen bond. In the crystal, weak N—H⋯N and C—H⋯π interactions connect the molecules, forming a three-dimensional network. |
format | Online Article Text |
id | pubmed-4719848 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198482016-02-11 Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κO (2))-4-phenylthiosemicarbazidato-κ(2) N (1),S](triphenylphosphane-κP)nickel(II) Karpagam, B. Chakkaravarthi, G. Rajagopal, G. Acta Crystallogr E Crystallogr Commun Data Reports In the title complex, [Ni(C(16)H(15)N(3)O(2)S)(C(18)H(15)P)], the Ni(II) atom has a distorted tetrahedral coordination geometry, comprised of N, S, O and P atoms of the tridentate thiosemicarbazide ligand and the P atom of the triphenylphosphane ligand. The benzene ring makes a dihedral angle of 53.08 (11)° with the phenyl ring of the phenylthiosemicarbazide moiety and dihedral angles of 73.69 (11), 20.38 (11) and 71.30 (11)° with the phenyl rings of triphenylphosphane ligand. A pair of N—H⋯N hydrogen bonds generates an R (2) (2)(8) ring graph-set motif. The ethoxy group is disordered over two positions, with site occupancies of 0.631 (9) and 0.369 (9). The molecular structure is stabilized by a weak intramolecular C—H⋯O hydrogen bond. In the crystal, weak N—H⋯N and C—H⋯π interactions connect the molecules, forming a three-dimensional network. International Union of Crystallography 2015-11-21 /pmc/articles/PMC4719848/ /pubmed/26870439 http://dx.doi.org/10.1107/S2056989015021660 Text en © Karpagam 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 Karpagam, B. Chakkaravarthi, G. Rajagopal, G. Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κO (2))-4-phenylthiosemicarbazidato-κ(2) N (1),S](triphenylphosphane-κP)nickel(II) |
title | Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κO
(2))-4-phenylthiosemicarbazidato-κ(2)
N
(1),S](triphenylphosphane-κP)nickel(II) |
title_full | Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κO
(2))-4-phenylthiosemicarbazidato-κ(2)
N
(1),S](triphenylphosphane-κP)nickel(II) |
title_fullStr | Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κO
(2))-4-phenylthiosemicarbazidato-κ(2)
N
(1),S](triphenylphosphane-κP)nickel(II) |
title_full_unstemmed | Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κO
(2))-4-phenylthiosemicarbazidato-κ(2)
N
(1),S](triphenylphosphane-κP)nickel(II) |
title_short | Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κO
(2))-4-phenylthiosemicarbazidato-κ(2)
N
(1),S](triphenylphosphane-κP)nickel(II) |
title_sort | crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κo
(2))-4-phenylthiosemicarbazidato-κ(2)
n
(1),s](triphenylphosphane-κp)nickel(ii) |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719848/ https://www.ncbi.nlm.nih.gov/pubmed/26870439 http://dx.doi.org/10.1107/S2056989015021660 |
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