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Ferrocene-1-carbaldehyde thio-semi-carbazone.


ABSTRACT: The asymmetric unit of the title compound, [Fe(C(5)H(5))(C(7)H(8)N(3)S)], consists of two crystallographically independent mol-ecules, A and B. The cyclo-penta-dienyl (Cp) rings in both mol-ecules adopt an eclipsed conformation and are parallel to each other, forming dihedral angles of 2.5?(3) and 1.1?(3)°, respectively. The mean plane of the semicarbazone group is coplanar with the attached Cp ring in mol-ecule A, whereas it is twisted away in mol-ecule B. In the crystal structure, inter-molecular N-H?S hydrogen bonds link the mol-ecules into two-dimensional planes parallel to the ab plane. The structure is further consolidated by C-H?? inter-actions.

SUBMITTER: Vikneswaran MR 

PROVIDER: S-EPMC2979593 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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Ferrocene-1-carbaldehyde thio-semi-carbazone.

Vikneswaran M R MR   Teoh Siang Guan SG   Yeap Chin Sing CS   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20100522 Pt 6


The asymmetric unit of the title compound, [Fe(C(5)H(5))(C(7)H(8)N(3)S)], consists of two crystallographically independent mol-ecules, A and B. The cyclo-penta-dienyl (Cp) rings in both mol-ecules adopt an eclipsed conformation and are parallel to each other, forming dihedral angles of 2.5 (3) and 1.1 (3)°, respectively. The mean plane of the semicarbazone group is coplanar with the attached Cp ring in mol-ecule A, whereas it is twisted away in mol-ecule B. In the crystal structure, inter-molecu  ...[more]

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