Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-3-(2-Fur-yl)-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C(13)H(10)O(3), an intra-molecular O-H?O hydrogen bond influences the mol-ecular conformation, and the benzene and furan rings form a dihedral angle of 8.35?(7)°. Weak inter-molecular C-H?O hydrogen bonds link mol-ecules into sheets parallel to the bc plane.

SUBMITTER: Kong L

PROVIDER: S-EPMC2959741 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-3-(2-Fur-yl)-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

Kong Lingqian L Liu Yanhong Y

Acta crystallographica. Section E, Structure reports online 20081022 Pt 11

In the title mol-ecule, C(13)H(10)O(3), an intra-molecular O-H⋯O hydrogen bond influences the mol-ecular conformation, and the benzene and furan rings form a dihedral angle of 8.35 (7)°. Weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into sheets parallel to the bc plane. ...[more]

PMID: 21581021

Similar Datasets

(E)-3-(3,4-Dimethoxy-phen-yl)-1-(2-fur-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(15)H(14)O(4), the benzene and furyl rings are inclined to each other with a dihedral angle of 41.5?(1)°. An intra-molecular C-H?O hydrogen-bond inter-action generates an S(5) ring motif. In the crystal structure, mol-ecules are stacked along the b axis and the crystal packing is stabilized by inter-molecular C-H?O and C-H?? inter-actions. In addition, ?-? stacking inter-actions with a centroid-to-centroid distance of 3.5855?(11)?Å are observed.

| S-EPMC2962066 | biostudies-literature

(E)-1-(4-Bromo-phen-yl)-3-(2-fur-yl)prop-2-en-1-one.

Project description:In the title compound, C(13)H(9)BrO(2), the benzene and furan rings form a dihedral angle of 44.35?(14)°. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC2977766 | biostudies-literature

(E)-3-(2-Chloro-phen-yl)-1-(2-fur-yl)prop-2-en-1-one.

Project description:The title compound, C(13)H(9)ClO(2), adopts an E configuration with respect to the C=C double bond of the propenone unit. The benzene and furyl rings are twisted slightly from each other, making a dihedral angle of 6.47 (7)°. Intra-molecular C-H⋯O and C-H⋯Cl hydrogen bonds generate an S(5)S(5)S(5) ring motif. In the crystal structure, mol-ecules are stacked along the b axis and weak inter-molecular C-H⋯O hydrogen bonds are observed.

| S-EPMC2962097 | biostudies-literature

3-[4-(Benz-yloxy)phen-yl]-1-(2-fur-yl)-3-hydroxy-prop-2-en-1-one.

Project description:In the crystal structure of the title compound, C(20)H(16)O(4), which is in the enol form, the central benzene ring makes dihedral angles of 63.42?(9) and 5.19?(10)° with the phenyl and furan rings, respectively. There is a short strong intra-molecular O-H?O hydrogen bond.

| S-EPMC2959881 | biostudies-other

1-(4-Chloro-phen-yl)-3-(5-methyl-2-fur-yl)prop-2-en-1-one.

Project description:The title compound, C(14)H(11)ClO(2), was prepared from 4-chloro-hypnone and 5-methyl-furfural by an aldol condensation reaction. The dihedral angle formed between the two benzene rings is 7.71?(2)°. The crystal structure is stabilized by C-H?O inter-actions.

| S-EPMC2971048 | biostudies-literature

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

Project description:The title mol-ecule, C(16)H(16)O(5), is twisted; the dihedral angle between the furan and 3,4,5-trimeth-oxy-phenyl rings is 12.14?(13)°. The two meth-oxy groups at the meta positions of the benzene ring are close to being coplanar with the ring [C-O-C-C = -0.6?(3) and 1.4?(3)°], whereas the third meth-oxy group, at the para position, is (+)-anti-clinal with respect to the benzene ring [C-O-C-C = 104.9?(2)°]. In the crystal, mol-ecules are linked by weak C-H?O bonds to stack along the b axis and further C-H?O inter-actions consolidate the structure.

| S-EPMC3011481 | biostudies-literature

(E)-3-[4-(Hex-yloxy)phen-yl]-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(21)H(24)O(3), the conformation of the enone group is s-cis. The benzene rings are inclined at an angle of 7.9?(1)°. The alk-oxy tail is planar, with a maximum deviation from the least-squares plane of 0.009?(2)?Å, and adopts a trans conformation throughout. An intra-molecular O-H?O inter-action between the keto and hydr-oxy groups forms S(6) ring motifs. In the crystal, mol-ecules are arranged in a head-to-tail manner down the a axis and are subsequently stacked along the b axis, forming mol-ecular sheets parallel to the ab plane. The crystal structure is further stabilized by weak C-H?? inter-actions and short C?O [3.376?(2)?Å] contacts.

| S-EPMC2969631 | biostudies-literature

(E)-3-[4-(Hex-yloxy)phen-yl]-1-(4-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(21)H(24)O(3), the enone group adopts an s-cis conformation. The planes of the aromatic rings are inclined at an angle of 6.1?(1)°. The alk-oxy tail is not linear, with the maximum deviation from the least-squares plane being 0.375?(2)?Å. Mol-ecules are connected into extended chains along the a axis through O-H?O(carbon-yl) hydrogen bonds and are inter-linked via C-H?O inter-actions to form a two-dimensional array parallel to the ab plane.

| S-EPMC2969694 | biostudies-literature

(E)-3-[4-(Dec-yloxy)phen-yl]-1-(4-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(25)H(32)O(3), the enone group adopts an s-cis conformation. The alk-oxy unit is nearly planar and is in a trans conformation. The two benzene rings make a dihedral angle of 18.87?(9)°. In the crystal structure, mol-ecules are linked into chains running along the a axis by inter-molecular O-H?O hydrogen bonds involving the hydr-oxy and keto groups. The chains are crosslinked along the b axis via C-H?O hydrogen bonds, forming a two-dimensional network parallel to the ab plane.

| S-EPMC2977771 | biostudies-literature

(2E)-1-(3,5-Di-hydroxy-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C16H14O4, the benzene rings are inclined to one another by 4.91?(7)°. The conformation about the C=O and C=C bonds is trans and cis, respectively. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked via O-H?O and C-H?O hydrogen bonds, forming undulating two-dimensional networks lying parallel to (10-1). These networks are linked by further C-H?O hydrogen bonds, forming a three-dimensional structure.

| S-EPMC4011220 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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