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(E)-1-Ferrocenyl-3-phenyl-prop-2-en-1-one.

ABSTRACT: The title compound, [Fe(C(5)H(5))(C(14)H(11)O)], exists as the E isomer, and the substituent is fully conjugated with the attached five-membered ring. In the ferrocene unit, the substituted cyclo-penta-dienyl ring (Cps) plane and unsubstituted cyclo-penta-dienyl ring (Cp) plane are almost parallel, and the C atoms in Cp and Cps are in an eclipsed conformation. In the crystal structure, mol-ecules are linked into C(5) chains via inter-molecular C-H⋯O hydrogen bonds, and neighbouring chains are assembled into sheets by inter-molecular C-H⋯π(arene) hydrogen bonds along the c axis.

SUBMITTER: Liu YH

PROVIDER: S-EPMC2961926 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-1-Ferrocenyl-3-(3-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, [Fe(C(5)H(5))(C(14)H(10)NO(3))], one cyclo-penta-diene ring is substituted and one is unsubstituted. The two rings are almost parallel and are eclipsed and ordered. The conjugated substituent is slightly twisted with respect to the cyclo-penta-diene ring. The crystal structure contains four inter-molecular C-H?O hydrogen-bonds in the range 3.324?(3)-3.539?(3)?Å and one ?(aryl ring)-? (Cp ring) stacking inter-action with a ring-centroid distance of 3.894?(2)?Å.

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(E)-1-Ferrocenyl-3-(4-methoxy-phen-yl)-prop-2-en-1-one.

Project description:In the title compound, [Fe(C(5)H(5))(C(15)H(13)O(2))], a conjugated substituent group bridges a five-membered ?(5)-C(5)H(4) ring and a benzene ring. In the ferrocene unit, the substituted (Cps) and unsubstituted (Cp) cyclo-penta-dienyl rings are eclipsed and almost parallel [Cps-Fe-Cps angle = 176.1?(2)°]. The mol-ecule is linked into an S(5) motif via intra-molecular C-H?O hydrogen bonds. The mol-ecules are arranged into a three-dimensional framework by five inter-molecular C-H?O hydrogen bonds and one inter-molecular C-H??(Cps) inter-action.

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(E)-1-Ferrocenyl-3-(2-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:The structure of the title compound, [Fe(C5H5)(C15H13O2)], consists of a ferrocenyl moiety and a 2-meth-oxy-phenyl group linked through a prop-2-en-1-one spacer in an E conformation. In the ferrocene unit, the substituted cyclo-penta-dienyl (Cps) ring and the unsubstituted cyclo-penta-dienyl ring (Cp) are almost parallel to one another [dihedral angle = 1.78 (14)°], and the Cp and Cps rings are in a gauche conformation. The benzene ring is twisted by 10.02 (14) and 11.38 (11)° with respect to the Cp and Cps rings, respectively. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into supra-molecular chains running along the b-axis direction.

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(E)-3-Ferrocenyl-1-(2-hy-droxy-phen-yl)-prop-2-en-1-one.

Project description:The mol-ecular structure of the title compound, [Fe(C(5)H(5))(C(14)H(11)O(2))] consists of a ferrocenyl and 2-hy-droxy-phenyl group linked through the prop-2-en-1-one spacer and is stabilized by an intra-molecular O-H⋯O hydrogen bond between the hydroxyl and the carbonyl groups.

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Project description:The title compound, [Fe(C(5)H(5))(C(12)H(9)O(2))], exhibits an E configuration. In the ferrocene unit, the two cyclo-penta-dienyl rings are almost parallel [dihedral angle = 0.76?(12)°] and the C atoms are in an eclipsed conformation. An intra-molecular C-H?O hydrogen bond generates an S(5) ring. In the crystal, the mol-ecules are linking into zigzag chains via two C-H?O hydrogen-bonding inter-actions along the c axis and neighbouring chains are stabilized by electrostatic inter-action forces.

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1-Phenyl-3-(pyren-1-yl)prop-2-en-1-one.

Project description:The title compound, C(25)H(16)O, was prepared by the condens-ation reaction of pyrene-1-carbaldehyde and acetophenone in ethanol solution at room temperature. The phenyl ring forms a dihedral angle of 39.10?(11)° with the pyrene ring system. In the crystal structure, adjacent pyrene ring systems are linked by aromatic ?-? stacking inter-actions, with a perpendicular inter-planar distance of 3.267?(6)?Å and a centroid-centroid offset of 2.946?(7)?Å.

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Project description:The title mol-ecule, C(13)H(11)NO, is almost flat, the angle between the pyrrole and the phenyl rings being 10.9 (1)°. The atoms of the central C(3)O unit are coplanar, with a mean deviation from the plane of 0.001 (1) Å. The angles between this plane and the pyrrole and phenyl rings are 3.3 (1) and 8.0 (1)°, respectively. The mol-ecules form centrosymmetric dimers through a pair of N-H⋯O hydrogen bonds with an R(2) (2)(10) motif.

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1-Phenyl-3-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(18)H(18)O(4), a derivative of biologically active chalcones, the dihedral angle between the two rings is 7.43?(7)°. The molecule adopts an E configuration about the central olefinic bonds. In the crystal, there are no strong inter-actions between the mol-ecules.

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Project description:In the title compound, C(18)H(18)O(4), the dihedral angle between the mean planes of the aromatic rings is 7.39 (6)°. The dihedral angles between the linking C-C=C-C plane and the phenyl and benzene rings are 11.27 (5) and 4.20 (5)°, respectively.

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