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2-[(Ferrocen-1-yl)(hy-droxy)meth-yl]prop-2-ene-nitrile.

ABSTRACT: In the title ferrocene derivative, [Fe(C5H5)(C9H8NO)], the dihedral angle between the ene-nitrile group and the substituted cyclo-penta-dienyl ring is 71.2?(1)°. The cyclopentadienyl rings of the ferrocene moiety are arranged in an eclipsed conformation. The hy-droxy group, and the corresponding methine H atom, are disordered over two sets of sites with site-occupancy factors of 0.744?(4) and 0.256?(4). An intra-molecular C-H?O close contact is observed. In the crystal, O-H?N hydrogen bonds form a C(6) chain along [100].

SUBMITTER: Selvanayagam S 

PROVIDER: S-EPMC3885001 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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2-[(Ferrocen-1-yl)(hy-droxy)meth-yl]prop-2-ene-nitrile.

Selvanayagam S S   Ravikumar K K   Kathiravan S S   Raghunathan R R  

Acta crystallographica. Section E, Structure reports online 20131120 Pt 12

In the title ferrocene derivative, [Fe(C5H5)(C9H8NO)], the dihedral angle between the ene-nitrile group and the substituted cyclo-penta-dienyl ring is 71.2 (1)°. The cyclopentadienyl rings of the ferrocene moiety are arranged in an eclipsed conformation. The hy-droxy group, and the corresponding methine H atom, are disordered over two sets of sites with site-occupancy factors of 0.744 (4) and 0.256 (4). An intra-molecular C-H⋯O close contact is observed. In the crystal, O-H⋯N hydrogen bonds form  ...[more]

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