Abstract
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.
Highlights
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
The Fe atom is slightly closer to the substituted cyclopentadienyl ring, with an Fe–centroid distance of
The molecular structure of the title compound is composed of amethyl group and a naphthalen group joined by an organic thiourea spacer
Summary
R factor = 0.040; wR factor = 0.105; data-to-parameter ratio = 15.1. 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. 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. 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. Molecules form centrosymmetric dimers via pairs of N—H S hydrogen bonds
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More From: Acta crystallographica. Section E, Structure reports online
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