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

In the title compound, [Fe(C5H5)(C17H15N2S)], 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&...

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Main Authors: Xia Li, Wei Liu
Format: Article
Language:English
Published: International Union of Crystallography 2011-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811046629
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spelling doaj-53877250a77d4b0fb1b006dd6f7493cb2020-11-24T21:37:54ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-12-016712m1744m174410.1107/S16005368110466291-[(Ferrocen-1-yl)methyl]-3-(naphthalen-1-yl)thioureaXia LiWei LiuIn the title compound, [Fe(C5H5)(C17H15N2S)], 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.http://scripts.iucr.org/cgi-bin/paper?S1600536811046629
collection DOAJ
language English
format Article
sources DOAJ
author Xia Li
Wei Liu
spellingShingle Xia Li
Wei Liu
1-[(Ferrocen-1-yl)methyl]-3-(naphthalen-1-yl)thiourea
Acta Crystallographica Section E
author_facet Xia Li
Wei Liu
author_sort Xia Li
title 1-[(Ferrocen-1-yl)methyl]-3-(naphthalen-1-yl)thiourea
title_short 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_sort 1-[(ferrocen-1-yl)methyl]-3-(naphthalen-1-yl)thiourea
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-12-01
description In the title compound, [Fe(C5H5)(C17H15N2S)], 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536811046629
work_keys_str_mv AT xiali 1ferrocen1ylmethyl3naphthalen1ylthiourea
AT weiliu 1ferrocen1ylmethyl3naphthalen1ylthiourea
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