Acta Cryst. (2005). C61, m365-m369 [ doi:10.1107/S010827010501783X ]
Abstract: The conformations and hydrogen bonding in the thiophene and thiazole title compounds, [Fe(C5H5)(C20H14NO3S)], (I), and [Fe(C5H5)(C19H17N2O3S)], (II), are discussed. The sequence (C5H4)-(C6H4)-(CONH)-(C4H2S)-(CO2Me) of rings and moieties in (I) is close to being planar; all consecutive interplanar angles are less than 10°. An intramolecular N-HO=Cester hydrogen bond [graph set S(6), NO = 2.768 (2) Å and N-HO = 134 (2)°] effects the molecular planarity, and aggregation occurs via hydrogen-bonded chains formed from intermolecular Car-HO=Cester/amide interactions along , with CO distances ranging from 3.401 (3) to 3.577 (2) Å. The thiazole system in (II) crystallizes with two molecules in the asymmetric unit; these differ in the conformation along their long molecular axes; for example, the interplanar angle between the phenylene (C6H4) and thiazole (C3NS) rings is 8.1 (2)° in one molecule and 27.66 (14)° in the other. Intermolecular N-HO=Cester hydrogen bonds [NO = 2.972 (4) and 2.971 (3) Å], each augmented by a Cphenylene-HO=Cester interaction [3.184 (5) and 3.395 (4) Å], form motifs with graph set (7) and generate chains along . The amide C=O groups do not participate in hydrogen bonding. Compound (II) is the first reported ferrocenyl-containing thiazole structure.
Formula: [Fe(C5H5)(C20H14NO3S)] and [Fe(C5H5)(C19H17NO3S)]
Structure factor file (CIF format) (211.4 kbytes)
Structure factor file (CIF format) (484.6 kbytes)
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