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1-[(Ferrocen-1-yl)meth­yl]-3-(naphthalen-1-yl)thio­urea

In the title compound, [Fe(C(5)H(5))(C(17)H(15)N(2)S)], the cyclo­penta­dienyl (Cp) rings are almost parallel and essentially eclipsed, with a dihedral angle between the Cp ring planes of 0.807 (11)°. The Fe atom is slightly closer to the substituted cyclo­penta­dienyl ring, with an Fe–centroid dist...

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Detalles Bibliográficos
Autores principales: Li, Xia, Liu, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238652/
https://www.ncbi.nlm.nih.gov/pubmed/22199543
http://dx.doi.org/10.1107/S1600536811046629
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author Li, Xia
Liu, Wei
author_facet Li, Xia
Liu, Wei
author_sort Li, Xia
collection PubMed
description In the title compound, [Fe(C(5)H(5))(C(17)H(15)N(2)S)], the cyclo­penta­dienyl (Cp) rings are almost parallel and essentially eclipsed, with a dihedral angle between the Cp ring planes of 0.807 (11)°. The Fe atom is slightly closer to the substituted cyclo­penta­dienyl ring, with an Fe–centroid distance of 1.6510 (8) Å, compared with 1.6597 (8) Å for the unsubstituted ring. The bridging unit between the substituted Cp ring and the naphthyl ring system is planar within 0.0174 Å and makes dihedral angles of 59.032 (10) and 66.02 (2)°, respectively, with these two rings. The angle between the substituted Cp ring and the naphthyl ring system is 72.094 (18)°. The H atoms of the NH groups of the thio­urea moiety are positioned anti with respect to each other. In the crystal, mol­ecules form centrosymmetric dimers via pairs of N—H⋯S hydrogen bonds.
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spelling pubmed-32386522011-12-23 1-[(Ferrocen-1-yl)meth­yl]-3-(naphthalen-1-yl)thio­urea Li, Xia Liu, Wei Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Fe(C(5)H(5))(C(17)H(15)N(2)S)], the cyclo­penta­dienyl (Cp) rings are almost parallel and essentially eclipsed, with a dihedral angle between the Cp ring planes of 0.807 (11)°. The Fe atom is slightly closer to the substituted cyclo­penta­dienyl ring, with an Fe–centroid distance of 1.6510 (8) Å, compared with 1.6597 (8) Å for the unsubstituted ring. The bridging unit between the substituted Cp ring and the naphthyl ring system is planar within 0.0174 Å and makes dihedral angles of 59.032 (10) and 66.02 (2)°, respectively, with these two rings. The angle between the substituted Cp ring and the naphthyl ring system is 72.094 (18)°. The H atoms of the NH groups of the thio­urea moiety are positioned anti with respect to each other. In the crystal, mol­ecules form centrosymmetric dimers via pairs of N—H⋯S hydrogen bonds. International Union of Crystallography 2011-11-12 /pmc/articles/PMC3238652/ /pubmed/22199543 http://dx.doi.org/10.1107/S1600536811046629 Text en © Li and Liu 2011 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 Metal-Organic Papers
Li, Xia
Liu, Wei
1-[(Ferrocen-1-yl)meth­yl]-3-(naphthalen-1-yl)thio­urea
title 1-[(Ferrocen-1-yl)meth­yl]-3-(naphthalen-1-yl)thio­urea
title_full 1-[(Ferrocen-1-yl)meth­yl]-3-(naphthalen-1-yl)thio­urea
title_fullStr 1-[(Ferrocen-1-yl)meth­yl]-3-(naphthalen-1-yl)thio­urea
title_full_unstemmed 1-[(Ferrocen-1-yl)meth­yl]-3-(naphthalen-1-yl)thio­urea
title_short 1-[(Ferrocen-1-yl)meth­yl]-3-(naphthalen-1-yl)thio­urea
title_sort 1-[(ferrocen-1-yl)meth­yl]-3-(naphthalen-1-yl)thio­urea
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238652/
https://www.ncbi.nlm.nih.gov/pubmed/22199543
http://dx.doi.org/10.1107/S1600536811046629
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AT liuwei 1ferrocen1ylmethyl3naphthalen1ylthiourea