Ferrocene-1-carbaldehyde 4-ethyl-thio-semi-carbazone.

ABSTRACT: The asymmetric unit of title compound, [Fe(C(5)H(5))(C(9)H(12)N(3)S)], contains two crystallographically independent mol-ecules, A and B. The two cyclo-penta-dienyl (Cp) rings are parallel to each other in both mol-ecules, forming dihedral angles of 2.3?(3) and 1.0?(3)°, respectively, and adopt an eclipsed conformation. The mean plane of the semicarbazone group is twisted slightly away from the attached Cp ring in both mol-ecules, the dihedral angles between the mean plane and the Cp ring being 15.3?(2) and 10.8?(2)°. The ethyl group in mol-ecule A is coplanar with the mean plane of the semicarbazone group [C-N-C-C torsion angle = -175.2?(4)°], whereas it is nearly perpendicular in mol-ecule B [C-N-C-C torsion angle = 84.8?(6)°]. In the crystal structure, inter-molecular N-H?S hydrogen bonds link the mol-ecules into dimers. These dimers are further linked into chains via inter-molecular C-H?S hydrogen bonds. The crystal studied was a non-merohedral twin with a refined ratio of the twin components of 0.265?(2):0.735?(2).

SUBMITTER: Vikneswaran MR 

PROVIDER: S-EPMC2979492 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature