3-Anilino-1-ferrocenylpropan-1-one.
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ABSTRACT:
SUBMITTER: Leka Z
PROVIDER: S-EPMC3274941 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:The title compound, C(19)H(17)N(3)O, was prepared by the 1,4-addition reaction of 1,3-di-2-pyridylprop-2-en-1-one with aniline, and includes one chiral C atom of the methine group with an R configuration. The crystal structure is stabilized by inter-molecular N-H?N and C-H?O hydrogen bonds. The crystal structure also exhibits weak inter-molecular C-H?? inter-actions between a pyridyl H atom and the phenyl ring of adjacent mol-ecules.
| S-EPMC2971067 | biostudies-literature
Project description:In the mol-ecule of the title compound, C(14)H(10)ClNO(2), the essentially planar phthalide group is oriented at a dihedral angle of 59.43 (4)° with respect to the substituted aromatic ring. In the crystal structure, inter-molecular C-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, generating R(4) (4)(21) ring motifs to form a three-dimensional network.
| S-EPMC2960952 | biostudies-literature
Project description:In the title compound, C20H23NO, the cyclo-hepta-none ring adopts a twist-chair conformation, with the amino-methyl substituent in an equatorial position. The relative configuration of the two stereocenters is R,R. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into chains along [100].
| S-EPMC3588277 | biostudies-literature
Project description:In the title compound, C(13)H(17)NO, the dihedral angle between the aryl ring and the amino-acryl-aldehyde mean plane [N-C=C-C=O; maximum deviation = 0.0144?(9)?Å] is 53.43?(4)°. There is an intra-molecular N-H?O hydrogen bond involving the amine and carbonyl groups. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains propagating along [001].
| S-EPMC3470305 | biostudies-literature
Project description:In the title compound, C(21)H(17)NO, the phenyl ring directly linked to the carbonyl group is oriented at an angle of 7.3?(2)° with respect to the aniline ring, and at an angle of 55.6?(2)° with respect to the other phenyl ring. There is an intra-molecular hydrogen bond involving the NH group and the carbonyl O atom. The crystal structure is stabilized by weak C-H?? inter-actions, which link the mol-ecules into a herringbone arrangement.
| S-EPMC2961639 | biostudies-literature
Project description:The title enamino ketone, C(12)H(15)NO, a derivative of 4-(phenyl-amino)-pent-3-en-2-one, presents a roughly planar [greatest displacement of an atom from the pentenone plane is 0.033 (2) Å] pentenone backbone, enhanced by an intra-molecular N-H⋯O hydrogen bond; the asymmetry in C-C distances in the group suggests the presence of unsaturated bonds. The overall geometry in the free ligand differs significantly from that in other reported compounds, in which it is coordinated to rhodium; this is reflected in the bond distances [the N⋯O distance is significantly increased (0.2 Å) upon coordination to the metal] and the dihedral angle between the benzene ring and the pentenone backbone [49.53 (5)°]. All of the methyl goups are rotationally disordered over two orientations of equal occupancy.
| S-EPMC3006949 | biostudies-literature
Project description:The title ferrocene derivative, [Fe(C(5)H(5))(C(14)H(13)FNO)], crystallizes in the same space group with similar unit-cell parameters as the derivatives 3-anilino-1-ferrocenylpropan-1-one [Leka et al. (2012 ▶). Acta Cryst. E68, m229] and 1-ferrocenyl-3-(4-methyl-anilino)propan-1-one [Leka et al. (2012 ▶). Acta Cryst. E68, m230]. The dihedral angle between the best planes of the benzene ring and the substituted cyclo-penta-dienyl ring is 83.4 (1)°. The presence of the electronegative fluoro substituent in the meta position of the aniline group does not alter the crystal packing compared to the other two derivatives. The molecules are connected into centrosymmetric dimers via N-H⋯O hydrogen bonds. In addition, C-H⋯O and C-H⋯N contacts stabilize the crystal packing.
| S-EPMC3274943 | biostudies-literature
Project description:In the title ferrocene derivative, [Fe(C(5)H(5))(C(15)H(16)NO)], the dihedral angle between the best planes of the benzene and the substituted cyclo-penta-dienyl ring is 83.4 (1)°. The presence of a methyl substituent in the para position of the aniline group does not alter the crystal packing compared to that of 3-anilino-1-ferrocenylpropan-1-one [Leka et al. (2012 ▶). Acta Cryst. E68, m229]. The molecules are connected into centro-symmetric dimers via N-H⋯O hydrogen bonds. In addition, C-H⋯O and C-H⋯N contacts stabilize the crystal packing.
| S-EPMC3274942 | biostudies-literature
Project description:The title compound, C(16)H(12)ClNO(2), featuring a furan-2(5H)-one (?-butyrolactone) core, contains two mol-ecules (A and B) in the asymmetric unit, with different dihedral angles between the central ring and the pendant phenyl and chloro-benzene rings [43.33?(8) and 20.16?(8)°, respectively, for A, and 47.79?(8) and 13.87?(8)°, respectively, for B]. In the crystal, the A mol-ecules are linked into [001] chains by single C-H?O inter-actions. The B mol-ecules also form [001] chains, but their relative orientations in the chains are quite different to those of the A mol-ecules so that adjacent B mol-ecules are linked by two C-H?O hydrogen bonds. Finally, C-H?O inter-actions and aromatic ?-? stacking contacts [centroid-centroid separations = 3.754?(1) and 3.817?(1)?Å] link the chains into a two-dimensional array parallel to (010).
| S-EPMC3247478 | biostudies-literature
Project description:In the title compound, C(22)H(21)NOS, the thio-pyran-one ring adopts a chair-like conformation with the substituent in the axial position. The relative configuration of the racemic compound is 3R,7S according to the numbering scheme used in this publication. In the crystal packing, centrosymmetric dimers are built up via N-H?O hydrogen bonds, with graph set R(2) (2)(8).
| S-EPMC3295517 | biostudies-literature