Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Wang PA

PROVIDER: S-EPMC3051583 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wang Ping-An PA

Acta crystallographica. Section E, Structure reports online 20110115 Pt 2

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. ...[more]

PMID: 21522855

Similar Datasets

(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.

| S-EPMC3007011 | biostudies-literature

2-Hy-droxy-2-methyl-1-phenyl-indolin-3-one.

Project description:In the title compound, C(15)H(13)NO(2), the indole and benzene rings make a dihedral angle of 60.61 (4)°. In the crystal, dimeric pairs (twofold symmetry) are formed via O-H⋯O hydrogen bonds.

| S-EPMC3238890 | biostudies-literature

4-Hy-droxy-1-methyl-3-phenyl-quinolin-2(1H)-one.

Project description:In the title compound, C(16)H(13)NO(2), the quinoline system is approximately planar with a maximum deviation from the least-squares plane of 0.059?(1)?Å for the N atom. The phenyl ring is rotated by 62.16?(4)° with respect to the plane of the quinoline system. In the crystal, O-H?O hydrogen bonds link mol-ecules into infinite chains running along the b-axis direction.

| S-EPMC3569765 | biostudies-literature

(R)-N-(Ferrocenylmeth-yl)-1-hy-droxy-3-phenyl-propan-2-aminium (E)-but-2-enoate.

Project description:The crystal structure of the title salt, [Fe(C(5)H(5))(C(15)H(19)NO)](C(4)H(5)O(2)), consists of discrete ammonium and carboxyl-ate ions, which associate into infinite chains parallel to [100] by means of N-H?O and O-H?O inter-actions. These chains are further cross-linked into a three-dimensional network by additional C-H?O contacts and by offset ?-? stacking inter-actions of inversion-related aromatic rings [centroid-centroid distance = 3.7040?(14)?Å]. The mol-ecular parameters of the ionic components are in no way unexpected, the geometry of the ammonium cation being similar to that found in other structurally characterized salts obtained from N-ferrocenylmethyl ?-amino-alcohols. The (E)-but-2-enoate anion consists of two approximately planar subunits, viz the delocalized carboxyl-ate unit and the butenyl group (the latter being planar within ca. 0.002?Å), which are mutually rotated by 30.3?(4)°.

| S-EPMC3247540 | biostudies-literature

3-[(1-Hy-droxy-1-phenyl-propan-2-yl)amino]-5,5-dimethyl-cyclo-hex-2-enone.

Project description:The asymmetric unit of the title compound, C(17)H(23)NO(2), consists of two crystallographically independent mol-ecules (A and B). The cyclo-hexene rings in both mol-ecules adopt an envelope conformation. In the crystal, independent mol-ecules, A and B, are each linked by inter-molecular bifurcated (N,O)-H⋯O hydrogen bonds, generating R(2) (1)(7) ring motifs and forming infinite chains along the b axis.

| S-EPMC3344556 | 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

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

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

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

(E)-3-(2-Hy-droxy-5-methyl-phenyl-imino)-indolin-2-one.

Project description:In the title compound, C(15)H(12)N(2)O(2), the dihedral angle between the two benzene rings is 83.55 (11)° In the crystal, the molecules are linked by O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC3200761 | biostudies-literature

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

Project description:In the title compound, [Fe(C5H5)(C16H15O3)], the cyclo-penta-dienyl rings are in an eclipsed conformation and the benzene ring makes dihedral angles of 10.84?(9) and 12.35?(9)°, respectively, with the substituted and unsubstituted cyclo-penta-dienyl rings. In the crystal, mol-ecules form inversion dimers through pairs of O-H?O hydrogen bonds. Weak C-H?O hydrogen bonds are observed between the dimers.

| S-EPMC3588521 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data