N-Ferrocenymethyl-N-phenylpropionamide

Abstract

In the title compound, [Fe(C5H5)(C15H16NO)], the two cyclo­penta­dienyl (Cp) rings are nearly parallel to each other, forming a dihedral angle of 3.7 (1)°, and adopt a staggered conformation. The amide group is almost perpendicular to the plane of the substituted Cp ring, with a C—N—C—C torsion angle of 101.3 (2)°, and the N and O atoms in the ethanoyl group are coplanar, with a C—N—C—O torsion angle of −0.7 (3)°. Weak C—H⋯O hydrogen bonds link adjacent mol­ecules.

Remarkable Brain Penetration of Cyclopentadienyl M(CO)3+ (M = 99mTc, Re) Derivatives of Benzothiazole and Benzimidazole Paves the Way for Their Application as Diagnostic, with Single-Photon-Emission Computed Tomography (SPECT), and Therapeutic Agents for Alzheimer’s Disease

“…The average C–C bond distance for the Cp1 ring is 1.416 Å and that of the Cp2 one is slightly larger, 1.429 Å. The average distance of the Fe1 atom to the carbons of the Cp1 ring is 2.046 Å, whereas the corresponding distance to the carbons of the Cp2 ring is 2.041 Å, in conformity with previous studies. − The angle around the bond C10–C11 of the benzothiazole part of the molecule defined by the atoms C11, C12, C13, C14, C15, C16, C17, N1, S1 and the cyclopentadienyl ring defined by the atoms C6,..., C10 is 10.08(8)°.…”

“…The Cg1···Fe1 and Cg2···Fe1 distances (Cg1 and Cg2 are the centroids of Cp1 and Cp2 rings, respectively) are equal to 1.6558(2) and 1.6395(2) Å, respectively, and the Cg1–Fe1–Cg2 angle takes the value of 179.18°. All of the above values fall in the range of previous studies . The average C–C bond distance for the Cp1 ring is 1.416 Å and that of the Cp2 one is slightly larger, 1.429 Å.…”

Experimental and quantum chemical studies on molecular structure, spectroscopic analysis, NLO analysis and HOMO-LUMO of substituted N-ferrocenylmethyl-N-phenylamides

“…The synthesis of FPA, FPP and FPB were achieved following our previously reported procedure [14][15][16]. The FT-IR of the compounds have been recorded using Nicolet iS5, Thermo Fisher Scientific spectrometer in the spectral region of 4000-400 cm -1.…”

Experimental partition determination of octanol-water coefficients of ferrocene derivatives using square wave voltammetry techniques

“…N-ferrocenylmethylaniline [12], ferrocenyl-2-nitrophenyl [13], N-ferrocenymethyl-N-phenylpropionamide [14], N'-ferrocenylmethyl-N'-phenylbenzohydrazide [15], ferrocenyl-4-nitrophenyl [16], Nferrocenymethyl-N-phenylacetamide [17], 1-ferrocenylethanol [18], N-Ferrocénylmethyl(2-cyano) aniline [19], 4-(ferrocenylmethylamino)benzonitrile [19] were all obtained according to literature procedures.…”