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1-Ferrocenyl-3-(3-fluoro-anilino)propan-1-one.

ABSTRACT: 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.

SUBMITTER: Leka Z

PROVIDER: S-EPMC3274943 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-Ferrocenyl-3-(4-methyl-anilino)propan-1-one.

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

1-Ferrocenyl-3-(2-methyl-anilino)propan-1-one.

Project description:In the ferrocene-containing Mannich base, [Fe(C(5)H(5))(C(15)H(16)NO)], the dihedral angle between the mean planes of the benzene ring and the substituted cyclo-penta-dienyl ring is 84.63?(7)°. The conformation of the title compound significantly differs from those found in corresponding m-tolyl-amino and p-tolyl-amino derivatives. In the crystal, C-H?O inter-actions connect the mol-ecules into chains, which further inter-act by means of C-H?? inter-actions. It is noteworthy that the amino H atom is shielded and is not involved in hydrogen bonding.

| S-EPMC3393239 | biostudies-other

(S)-1-Ferrocenyl-3-hy-droxy-3-phenyl-propan-1-one.

Project description:In the title compound, [Fe(C(5)H(5))(C(14)H(13)O(2))], the dihedral angle between the phenyl ring and the unsubstituted cyclo-petadienyl ring is 85.0 (2)°while that between the phenyl ring and the substituted cyclo-petadienyl ring is 83.6 (2)°. The dihedral angle between the two cyclo-penta-1,3-diene rings of the ferrocene unit is 2.2 (2)°. The mol-ecules are stabilized by inter-molecular O-H⋯O hydrogen-bonding inter-action within the crystal lattice.

| S-EPMC3051583 | biostudies-literature

1-(4-Chloro-phen-yl)-3-(2-meth-oxy-anilino)propan-1-one.

Project description:In the title compound, C(16)H(16)ClNO(2), the mol-ecule adopts a bowed conformation, with a dihedral angle of 39.9 (2)° between the aromatic rings. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, generating C(6) chains propagating in [010]. Very weak aromatic π-π stacking is also observed [centroid-centroid distance = 4.040 (2) Å].

| S-EPMC3051662 | biostudies-literature

2,3-Dibromo-1,3-bis-(4-fluoro-phen-yl)propan-1-one.

Project description:In the title compound, C(15)H(10)Br(2)F(2)O, the dihedral angle between the two 3-fluoro-substituted benzene rings is 5.7 (5)°. The two bromine substituents on the chalcone moiety are close to anti as the Br-C-C-Br torsion angle is 176.9 (7)°. Weak C-Br⋯π inter-actions may contribute to the crystal stability.

| S-EPMC3007578 | biostudies-literature

3-(3-Chloro-anilino)-1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one.

Project description:In the mol-ecule of the title compound, C(14)H(16)ClN(3)O, the benzene and pyrazole rings are oriented at a dihedral angle of 3.50 (3)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains. A π-π contact between the benzene and pyrazole rings [centroid-centroid distance = 3.820 (3) Å] may further stabilize the structure.

| S-EPMC2969777 | biostudies-literature

Monoclinic form of (Z)-1-ferrocenyl-3-(3-hy-droxy-anilino)but-2-en-1-one.

Project description:The title compound, [Fe(C(5)H(5))(C(15)H(14)NO(2))], is a monoclinic polymorph of the previously reported triclinic form [Shi et al. (2006 ?). Acta Cryst. C62, m407-m410]. The polymorphs feature the same strong intra-molecular N-H?O=C hydrogen bonds, but show different packing modes. The mol-ecules in the monoclinic form associate into double chains via O-H?O=C and (Cp)C-H?O-H inter-actions.

| S-EPMC3238667 | biostudies-literature

2-(4-Fluoro-anilino)-3-(2-hydroxy-ethyl)quinazolin-4(3H)-one.

Project description:The mol-ecular and crystal structures of the title compound, C(16)H(14)FN(3)O(2), are stabilized by intra-molecular N-H?O and inter-molecular O-H?O hydrogen bonds. The existence of non-classical intra-molecular C-H?N hydrogen bonds provides a dihedral angle between the fluoro-substituted benzene and pyrimidinone rings of 7.9?(1)°.

| S-EPMC2968625 | biostudies-literature

3-(2H-Benzotriazol-2-yl)-1-(4-fluoro-phen-yl)propan-1-one.

Project description:In the title compound, C(15)H(12)FN(3)O, the benzotriazole ring system is essentially planar, with a maximum deviation from the least-squares plane of 0.016?(3)?Å. The dihedral angle between this ring system and the fluoro-substituted benzene ring is 67.97?(2)°. The crystal structure is stabilized by weak inter-molecular C-H?N inter-actions.

| S-EPMC2979255 | biostudies-literature

3-Anilino-1-(isopropyl-amino)-propan-2-ol.

Project description:The title compound, C(12)H(20)N(2)O, was obtained by the reaction of N-(oxiran-2-ylmeth-yl)aniline and propan-2-amine. In the crystal, mol-ecules are linked by O-H?N and N-H?O hydrogen bonds into chains parallel to the b axis.

| S-EPMC3344190 | biostudies-literature

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