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. 2008 Mar 5;64(Pt 4):m514-5.
doi: 10.1107/S1600536808004236.

1-Acetyl-3-ferrocenyl-5-(2-nitro-phen-yl)-2-pyrazoline

1-Acetyl-3-ferrocenyl-5-(2-nitro-phen-yl)-2-pyrazoline

Günseli Turgut Cin et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, [Fe(C(5)H(5))(C(16)H(14)N(3)O(3))], the pyrazoline ring and the substituted cyclo-penta-dienyl ring are nearly coplanar, with a dihedral angle of 8.17 (2)°, while the nitro-substituted benzene ring is twisted out of the pyrazoline ring plane by 70.76 (1)°. The mol-ecules in the crystal structure are held together by three inter-molecular C-H⋯O hydrogen bonds. There is also an intra-molecular C-H⋯N hydrogen bond. The H atoms of the methyl group are disordered equally over two positions.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
A view of the hydrogen-bonding network in the title compound. The dashed lines denote hydrogen bonds. [Symmetry codes: (i) -x + 1/2, y + 1/2, z; (ii) x + 1/2, y, -z + 3/2.]

References

    1. Amr, A. E. E., Abdel-Latif, N. A. & Abdalla, M. M. (2006). Bioorg. Med. Chem.14, 373–384. - PubMed
    1. Biot, C., Dessolin, J., Richard, I. & Dive, D. (2004). J. Organomet. Chem.689, 4678–4682.
    1. Cremer, D. & Pople, J. A. (1975). J. Am. Chem. Soc.97, 1354–1358.
    1. Fang, J., Jin, Z., Li, Z. & Liu, W. (2003). J. Organomet. Chem.674, 1–9.
    1. Farrugia, L. J. (1997). J. Appl. Cryst.30, 565.