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Ethyl 3-ferrocenyl-1-(pyridin-2-ylmeth-yl)-1H-pyrazole-5-carboxyl-ate.

ABSTRACT: The title compound, [Fe(C(5)H(5))(C(17)H(16)N(3)O(2))], crystallizes with an essentially eclipsed conformation of the cyclo-penta-dienyl (Cp) rings. The unsubstituted ring is disordered over two positions with the major component being present 90?(1)% of the time. The substituted Cp ring, the pyrazole ring and three atoms of the eth-oxy-carbonyl group form a conjugated ?-system. These 13 atoms are coplanar within 0.09?Å.

SUBMITTER: Guzei IA 

PROVIDER: S-EPMC3254307 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

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Ethyl 3-ferrocenyl-1-(pyridin-2-ylmeth-yl)-1H-pyrazole-5-carboxyl-ate.

Guzei Ilia A IA   Spencer Lara C LC   Munyaneza Apollinaire A   Darkwa James J  

Acta crystallographica. Section E, Structure reports online 20111210 Pt 1

The title compound, [Fe(C(5)H(5))(C(17)H(16)N(3)O(2))], crystallizes with an essentially eclipsed conformation of the cyclo-penta-dienyl (Cp) rings. The unsubstituted ring is disordered over two positions with the major component being present 90 (1)% of the time. The substituted Cp ring, the pyrazole ring and three atoms of the eth-oxy-carbonyl group form a conjugated π-system. These 13 atoms are coplanar within 0.09 Å. ...[more]

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