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1,1'-Bis(1-acetyl-5-methyl-1H-pyrazol-3-yl)ferrocene.

ABSTRACT: The title compound, [Fe(C(11)H(11)N(2)O)(2)], crystallizes with two independent mol-ecules in the asymmetric unit which have have different conformations. In one mol-ecule, the two ferrocene cyclo-penta-dienyl rings are fully eclipsed and the two pyrazole rings are syn to each other; in the other, the two cyclo-penta-dienyl rings are synclinal and the pyrazole rings are anti. In both mol-ecules, the acetyl group attached to the pyrazole ring is oriented away from the iron-cyclo-penta-dienyl group of ferrocene.

SUBMITTER: Zhu BB

PROVIDER: S-EPMC3246958 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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1,1'-Bis(1-acetyl-5-methyl-1H-pyrazol-3-yl)ferrocene.

Zhu Bei-Bei BB Shi Yao-Cheng YC Shen Wen-Bin WB Li Qian-Kun QK

Acta crystallographica. Section E, Structure reports online 20111012 Pt 11

The title compound, [Fe(C(11)H(11)N(2)O)(2)], crystallizes with two independent mol-ecules in the asymmetric unit which have have different conformations. In one mol-ecule, the two ferrocene cyclo-penta-dienyl rings are fully eclipsed and the two pyrazole rings are syn to each other; in the other, the two cyclo-penta-dienyl rings are synclinal and the pyrazole rings are anti. In both mol-ecules, the acetyl group attached to the pyrazole ring is oriented away from the iron-cyclo-penta-dienyl grou ...[more]

PMID: 22219778

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