Browse
Submit Data
Databases
API
Help

Dataset Information

42 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-Methyl 2-[(4-bromo-2-formyl-phen-oxy)meth-yl]-3-phenyl-acrylate.

ABSTRACT: The C=C double bond in the title compound, C(18)H(15)BrO(4), adopts an E configuration. The two rings are almost orthogonal to each other, making a dihedral angle of 82.8 (1)°. An intra-molecular C-H⋯O hydrogen bond occurs. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Anuradha T

PROVIDER: S-EPMC3238972 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(E)-Methyl 2-[(2-formyl-6-meth-oxy-phen-oxy)meth-yl]-3-phenyl-acrylate.

Project description:The title compound, C(19)H(18)O(5), crystallizes with two independent mol-ecules (A and B) in an asymmetric unit in both of which the two aromatic rings are in a bis-ectional orientation as evidenced by the dihedral angle between them [41.7?(1)° in mol-ecule A and 35.6?(1)° in mol-ecule B]. Both mol-ecules adopt an E configuration with respect to the C=C bond. An intra-molecular C-H?O hydrogen-bond occurs in mol-ecule A. The crystal packing features inter-molecular C-H?O inter-actions.

| S-EPMC3254561 | biostudies-literature

(Z)-Methyl 2-[(4-bromo-2-formyl-phen-oxy)meth-yl]-3-o-tolyl-acrylate.

Project description:In the title compound, C(19)H(17)BrO(4), the dihedral angle between the two benzene rings is 82.1?(1)°. The mol-ecular structure is stabilized by an intra-molecular C-H?O hydrogen bond which generates an S(7) ring motif. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions. Inter-molecular C-H?O inter-actions are involved in the formation of centrosymmetric R(2) (2)(16) dimers, which are connected into supra-molecular tapes running along the [100] direction.

| S-EPMC3201264 | biostudies-literature

(Z)-Methyl 3-(2,4-dichloro-phen-yl)-2-[(2-formyl-phen-oxy)meth-yl]acrylate.

Project description:In the title compound, C(18)H(14)Cl(2)O(4), the mean planes of the methyl acrylate unit and the phenyl ring of the benzaldehyde are approximately orthogonal to each other, making a dihedral angle of 83.31?(6)°. The O atom of the aldehyde group is displaced significantly from the phenyl ring plane by 0.226?(2)?Å. The methyl acrylate group adopts an E conformation. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(24) loops.

| S-EPMC3201315 | biostudies-literature

(Z)-Methyl 2-[(2-eth-oxy-6-formyl-phen-oxy)meth-yl]-3-(4-ethyl-phen-yl)acrylate.

Project description:The title compound, C(22)H(24)O(5), consists of two substituted benzene rings linked by an ethyl acrylate group. The dihedral angle between the two benzene rings is 58.39 (7)°. The crystal packing is governed by two C-H⋯O inter-actions, one of which forms centrosymmetric dimers with a graph-set descriptor of R(2) (2)(18).

| S-EPMC3238902 | biostudies-literature

Methyl (Z)-2-[(4-bromo-2-formyl-phen-oxy)meth-yl]-3-(4-methyl-phen-yl)acrylate.

Project description:In the title compound, C(19)H(17)BrO(4), the dihedral angle between the two benzene rings is 82.9?(2)°. The mol-ecular structure is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(7) ring motif. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate two centrosymmetic ring systems with R(2) (2)(18) and R(2) (2)(14) graph-set motifs. The crystal packing is further stabilized by inter-molecular ?-? inter-actions [centroid-centroid distance = 3.984?(2)?Å].

| S-EPMC3297846 | biostudies-other

Methyl (E)-2-[(2-nitro-phen-oxy)meth-yl]-3-phenyl-acrylate.

Project description:The title compound, C(17)H(15)NO(5), adopts an E conformation with respect to the C=C double bond of the phenyl-acrylate unit. The phenyl ring and methyl acrylate group of the phenyl-acrylate unit are disordered over two sets of sites with site-occupancy ratios of 0.705?(5):0.295?(5) and 0.683?(3):0.317?(3), respectively. The mean plane through the benzene ring of the phenyl acrylate makes dihedral angles of 88.4?(8) (major component) and 86.7?(8)° (minor component) with the nitro-phen-oxy ring; the dihedral angle between the two components is 3.64?(6)°. Intra-molecular C-H?O interactions stabilise the molecular structure. In the crystal, C-H?O inter-actions result in a chain of mol-ecules running along the b axis.

| S-EPMC3379335 | biostudies-literature

Methyl (E)-2-({2-[(E)-(hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-phenyl-acrylate.

Project description:In the title compound, C(18)H(17)NO(4), the hy-droxy-ethanimine group is essentially coplanar with the ring to which it is attached [C-C-N-O torsion angle = 179.94?(14)°]. The mol-ecules are linked into cyclic centrosymmetric R(2) (2)(6) dimers via O-H?N hydrogen bonds and the crystal packing is further stabilized by C-H?O inter-actions.

| S-EPMC3295410 | biostudies-literature

(E)-Methyl 2-({2-eth-oxy-6-[(E)-(hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-phenyl-acrylate.

Project description:In the title compound, C(20)H(21)NO(5), the dihedral angle between the mean planes through the two rings is 47.1 (8)°. The enoate group assumes an extended conformation. The hy-droxy-ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.061 (1) Å for the O atom. In the crystal, mol-ecules are linked into cyclic centrosymmetric dimers with an R(2) (2)(6) motif via pairs of O-H⋯N hydrogen bonds. Inter-molecular C-H⋯O hydrogen bonds form a C(8) chain along the b axis. The crystal packing is further stabilized by C-H⋯π inter-actions.

| S-EPMC3344504 | biostudies-literature

Methyl (E)-2-({2-[(E)-(hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-(4-methyl-phen-yl)acrylate.

Project description:In the title compound, C(19)H(19)NO(4), the dihedral angle between the mean planes through the benzene rings is 82.18?(7)°. The C=N double bond is trans-configured. The mol-ecules are linked into centrosymmetric dimers via pairs of O-H?N hydrogen bonds with the motif R(2) (2)(6). The crystal packing also features C-H?O inter-actions. The methyl group attached to one of the aromatic rings is disordered over two almost equally occupied positions [occpancy ratio = 0.51?(4):0.49?(4)].

| S-EPMC3379223 | biostudies-literature

Methyl (E)-3-(2-formyl-phen-oxy)acrylate.

Project description:In the title compound, C11H10O4, the methyl acrylate sub-stituent adopts an extended E conformation with all torsion angles close to 180°. The conformation of the keto group with respect to the olefinic double bond is typically S-trans. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) graph-set motif. The dimers are further linked via C-H?O hydrogen bonds, forming chains along [001], which enclose R 3 (2)(16) graph-set ring motifs. The keto group O atomaccepts two C-H?O interactions.

| S-EPMC4051041 | 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