Crystal structure of 1,1-di-acetyl-ferrocene dihydrazone.

ABSTRACT: The title compound, [Fe(C7H9N2)2], crystallizes with two crystallographically independent mol-ecules in the unit cell. These represent the chiral atropoisomers distinguished by the mutual arrangement of the two acet-yl-hydrazone groups with a cis conformation of the C=N bonds. The two cyclo-penta-dienyl (Cp) rings are planar and nearly parallel, the tilt between the two rings being 3.16?(16)° [4.40?(18)° for the second independent mol-ecule]. The conformation of the Cp rings is close to eclipsed, the twist angle being 0.1?(2)° [3.3?(2)°]. The two acet-yl-hydrazone substituents are also planar and are inclined at 13.99?(15)/9.17?(16)° [6.83?(17)/14.59?(15)°] relative to the Cp rings. The Fe-C bond lengths range from 2.035?(3) to 2.065?(2)?Å, with an average of 2.050?(3)?Å [2.036?(3) to 2.069?(2), average 2.046?(3)?Å], which agrees well with those reported for most ferrocene derivatives. In the crystal, the mol-ecules form dimers via two strong N-H?N hydrogen bonds. The dimers are linked into a three-dimensional framework by weak N-H?N hydrogen bonds.

SUBMITTER: Shikhaliyev NG 

PROVIDER: S-EPMC4158501 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature