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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3238652 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT lixia 1ferrocen1ylmethyl3naphthalen1ylthiourea AT liuwei 1ferrocen1ylmethyl3naphthalen1ylthiourea |