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Crystal structure of 3-amino-pyridinium 1'-carb-oxy-ferrocene-1-carboxyl-ate.

ABSTRACT: The structure of the title salt, (C₅H₇N₂)[Fe(C₆H₄O₂)(C₆H₅O₂)], consists of 3-amino-pyridinium cations and 1'-carb-oxy-ferrocene-1-carboxyl-ate monoanions. The ferrocenyl moiety of the anion adopts a typical sandwich structure, with Fe-C distances in the range 2.0270?(15)-2.0568?(17)?Å. The anion possesses an eclipsed conformation, with the torsion angle ? (C_subst-Cp_cent-Cp_cent- C_subst) equal to 66.0°. The conformations of other 1'-carb-oxy-ferrocene-1-carboxyl-ate monoanions are compared and analyzed on the basis of literature data.

SUBMITTER: Medved'ko AV

PROVIDER: S-EPMC5458309 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of 3-amino-pyridinium 1'-carb-oxy-ferrocene-1-carboxyl-ate.

Medved'ko Aleksei V AV Churakov Andrei V AV Yu Haojie H Li Wang W Vatsadze Sergey Z SZ

Acta crystallographica. Section E, Crystallographic communications 20170516 Pt 6

The structure of the title salt, (C5H7N2)[Fe(C6H4O2)(C6H5O2)], consists of 3-amino-pyridinium cations and 1'-carb-oxy-ferrocene-1-carboxyl-ate monoanions. The ferrocenyl moiety of the anion adopts a typical sandwich structure, with Fe-C distances in the range 2.0270 (15)-2.0568 (17) Å. The anion possesses an eclipsed conformation, with the torsion angle φ (Csubst-Cpcent-Cp<sub ...[more]

PMID: 28638644

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