Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Paramasivam S

PROVIDER: S-EPMC3588521 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Paramasivam S S Purushothaman Santhanagopalan S Seshadri P R PR Raghunathan Raghavachary R

Acta crystallographica. Section E, Structure reports online 20130209 Pt 3

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. ...[more]

PMID: 23476492

Similar Datasets

(E)-3-(4-Eth-oxy-phen-yl)-1-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(17)H(16)O(3), the carbonyl group is in an s-cis configuration with respect to the olefinic double bond. The dihedral angle between the two benzene rings is 2.85 (3)°. The prop-2-en-1-one bridge makes dihedral angles of 4.77 (4) and 4.15 (4)°, respectively, with the 2-hy-droxy-phenyl and 4-eth-oxy-phenyl rings. The eth-oxy group is coplanar with the attached phenyl ring [C(ar)-O-C-C = 179.72 (5)°]. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, mol-ecules are stacked in an anti-parallel manner to form columns along the b axis. The columnar structure is stabilized by C-H⋯π inter-actions involving the 2-hy-droxy-phenyl ring.

| S-EPMC3007889 | biostudies-literature

Crystal structure of (2E)-3-(3-eth-oxy-4-hy-droxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C17H16O4, the dihedral angle between the benzene rings is 21.22?(1)° and the mean plane of the prop-2-en-1-one group makes dihedral angles of 10.60?(1) and 11.28?(1)°, respectively, with those of the hy-droxy-phenyl and eth-oxy-phenyl rings. The eth-oxy substituent forms a dihedral angle of 88.79?(2)° with the the prop-2-en-1-one group, which is found to be slightly twisted. In the crystal, phenolic O-H?O hydrogen bonds to the carbonyl O atom form a two-dimensional supra-molecular network structure lying parallel to (010).

| S-EPMC4257333 | biostudies-literature

(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

(E)-3-(4-Hy-droxy-3-meth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C16H14O4, there is an intra-molecular O-H?O hydrogen bond. The benzene rings are inclined to one another by 13.89?(9)°. The prop-2-en-1-one group is twisted slightly, the O=C-Car-Car (ar = aromatic) and C=C-C=O torsion angles being -10.4?(3) and -7.4?(3)°, respectively. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming chains along [100]. These chains are further linked by O-H?O hydrogen bonds, forming corrugated sheets lying parallel to (010). There are C-H?? inter-actions present within the sheets.

| S-EPMC4011235 | biostudies-literature

(E)-1-(2-Hy-droxy-phen-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title chalcone derivative, C(18)H(18)O(5), the dihedral angle between the hy-droxy-substituted benzene ring and the trimeth-oxy-substituted benzene ring is 16.3 (1)°. The three meth-oxy groups are essentially coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0208 Å. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, weak C-H⋯O inter-actions link mol-ecules into helical chains along the b axis. These chains are connected into sheets parallel to the bc plane by further weak C-H⋯O inter-actions.

| S-EPMC3200911 | biostudies-literature

1-(2-Hy-droxy-4-meth-oxy-phen-yl)-3-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title compound, C(17)H(16)O(3), exists in the E conformation with respect to the central C=C bond, is almost planar(r.m.s. deviation = 0.003?Å) and has an intra-molecular O-H?O hydrogen bond, which generates an S(6) ring. In the crystal, mol-ecules are linked by C-H?O inter-actions.

| S-EPMC3100019 | biostudies-literature

(E)-1-(3-Hy-droxy-phen-yl)-3-[4-(tetra-dec-yl-oxy)phen-yl]prop-2-en-1-one.

Project description:In the title compound, C(29)H(40)O(3), the enone moiety adopts an s-cis conformation. The dihedral angle between the benzene rings is 4.33?(5)° The least-squares mean line through the tetra-decyl side chain forms a dihedral angle of 83.99?(7)° with the normal to the attached benzene ring. In the crystal, O-H?O and C-H?O hydrogen bonds involving the keto and the hy-droxy O atoms form ribbons along [-41-1]. The crystal structure also features C-H?? inter-actions.

| S-EPMC3470259 | biostudies-literature

(E)-1-(2-Hy-droxy-6-meth-oxy-phen-yl)-3-(2,4,6-tri-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C19H20O6, the conformation about the C=C bond of the central enone group is E. The dihedral angle formed by the benzene rings is 11.6?(2)°. The hy-droxy group is involved in an intra-molecular O-H?O hydrogen bond. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into chains along [010].

| S-EPMC3885064 | biostudies-literature

(2E)-1-(2-Hy-droxy-5-methyl-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(17)H(16)O(3), the dihedral angle between the aromatic rings is 4.59?(7)° and an intra-molecular O-H?O hydrogen bond generates an S(6) ring. In the crystal, adjacent mol-ecules are linked by C-H?O hydrogen bonds, leading to the formation of [001] supra-molecular chains. Weak C-H?? inter-actions consolidate the packing.

| S-EPMC3089145 | biostudies-literature

(E)-3-(3,5-Dimeth-oxy-phen-yl)-1-(1-hy-droxy-naphthalen-2-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C21H18O4, the C=C bond of the central enone group adopts a trans conformation. The dihedral angle formed by the naphthalene ring system and the benzene ring is 2.97 (11)°. The hy-droxy group is involved in an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains along [001].

| S-EPMC3588993 | 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