Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,6-Dibromo-4-formyl-phenyl 3-phenyl-prop-2-enoate.

ABSTRACT: Mol-ecules of the title compound, C(16)H(10)Br(2)O(3), adopt an E conformation about the C=C double bond. The dihedral angle between the two aromatic rings is 78.0?(7)°. In the crystal, mol-ecules are linked through weak C-H?O hydrogen bonds.

SUBMITTER: Suresh Kumar C

PROVIDER: S-EPMC3470228 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,6-Dibromo-4-formyl-phenyl 3-phenyl-prop-2-enoate.

Suresh Kumar C C Jagadeesan G G Dhamodaran S S Ananth Karthik K Aravindhan S S

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

Mol-ecules of the title compound, C(16)H(10)Br(2)O(3), adopt an E conformation about the C=C double bond. The dihedral angle between the two aromatic rings is 78.0 (7)°. In the crystal, mol-ecules are linked through weak C-H⋯O hydrogen bonds. ...[more]

PMID: 23125672

Similar Datasets

Methyl (Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-phenyl-prop-2-enoate.

Project description:In the title compound, C(25)H(23)NO(5)S, the sulfonyl-bound benzene ring forms dihedral angles of 37.2 (1) and 67.0 (1)°, respectively, with the formyl-phenyl and phenyl rings. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯π inter-action. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming a two-dimensional network in the (110) plane in which R(4) (4)(38) ring motifs are generated.

| S-EPMC3239132 | biostudies-literature

Crystal structure of 2-phenyl-ethanaminium 3-carb-oxy-prop-2-enoate.

Project description:The title mol-ecular salt, C8H12N(+)·C4H3O4 (-), crystallized with two independent cations and anions in the asymmetric unit. The ethanaminium side chains of the cations exhibit anti conformations [C-C-C-N torsion angles = 176.5 (3) and -179.4 (3)°]. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds connect adjacent anions and cations, and , O-H⋯O hydrogen bonds connect adjacent anions, generating sheets parallel to (001).

| S-EPMC4555434 | biostudies-literature

Anilinium 3-(4-hy-droxy-3-meth-oxy-phenyl)prop-2-enoate.

Project description:The structure of the title salt, C(6)H(8)N(+)·C(10)H(9)O(4) (-), is stabilized by N-H⋯O and O-H⋯O hydrogen bonding between 3-(4-hy-droxy-3-meth-oxy-phen-yl)prop-2-enoate anions and anilinium cations, which links the components into a two-dimensional array.

| S-EPMC3009012 | biostudies-literature

2-Eth-oxy-ethyl (Z)-2-cyano-3-[(N-phenyl-carbamo-yl)amino]-prop-2-enoate.

Project description:The crystal structure of the title compound, C(15)H(17)N(3)O(4), is stabilized by inter-molecular N-H⋯N hydrogen bonds. An intra-molecular N-H⋯O hydrogen bond also occurs.

| S-EPMC3274966 | biostudies-literature

(E)-2-(2-Formyl-phen-oxy-meth-yl)-3-phenyl-prop-2-ene-nitrile.

Project description:In the title compound, C(17)H(13)NO(2), the dihedral angle between the benzene and the phenyl ring is 65.92?(7)°. The carbonitrile side chain is almost linear, the C-C-N angle being 175.55?(14)°. The crystal structure is stabilized by inter-molecular C-H?O inter-actions.

| S-EPMC3213455 | biostudies-literature

Methyl (2E)-2-[(2,4-dioxo-1,3-thia-zolidin-3-yl)meth-yl]-3-phenyl-prop-2-enoate.

Project description:In the title compound, C(14)H(13)NO(4)S, the thia-zolidine ring is essentially planar [maximum deviation = 0.010?(2)?Å for the carbonyl C atom between the N and S atoms] and is oriented at a dihedral angle of 60.1?(1)° with respect to the benzene ring. In the crystal, mol-ecules are linked into zigzag chains running along the c axis by C-H?O hydrogen bonds. The crystal packing is further stabilized by C-H?? inter-actions involving the benzene ring.

| S-EPMC3275016 | biostudies-literature

Methyl (2Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(naphthalen-1-yl)prop-2-enoate.

Project description:In the title compound, C(29)H(25)NO(5)S, the sulfonyl-bound benzene ring forms dihedral angles of 42.1?(1) and 48.5?(1)°, respectively, with the formyl-substituted benzene ring and the naphthalene residue. In the crystal, pairs of C-H?O inter-actions lead to the formation of R(2) (2)(10) inversion dimers, which are linked by further C-H?O inter-actions into supra-molecular tapes running along [100]. The crystal packing is further stabilized by C-H?? inter-actions.

| S-EPMC3275017 | biostudies-literature

2,6-Dibromo-4-chloro-aniline.

Project description:The title compound, C(6)H(4)Br(2)ClN, is almost planar (r.m.s. deviation = 0.024?Å) and two intra-molecular N-H?Br hydrogen bonds generate S(5) rings. In the crystal, N-H?Br hydrogen bonds link the mol-ecules into chains propagating in [010].

| S-EPMC3379461 | biostudies-literature

2,6-Dibromo-4-butyl-aniline.

Project description:In the title compound, C(10)H(13)Br(2)N, the amino N atom is essentially coplanar with the benzene ring, with an r.m.s. deviation of 0.004?Å. Weak intra-molecular N-H?Br hydrogen bonds occur. In the crystal, mol-ecules are linked into a zigzag chain parallel to the b axis by weak N-H?N hydrogen bonds.

| S-EPMC3011637 | biostudies-literature

Methyl (2Z)-2-[(2-formyl-3-methyl-1H-indol-1-yl)meth-yl]-3-(4-meth-oxy-phen-yl)prop-2-enoate.

Project description:In the title indole derivative, C22H21NO4, the dihedral angle between the benzene and pyrrole rings of indole moiety is 1.8 (1)°. The plane of the 4-meth-oxy-phenyl ring is oriented with a dihedral angle of 60.7 (1)° with respect to the plane of the indole moiety. The mol-ecular packing is stabilized by C-H⋯O hydrogen bonds which form a V-shaped chain arrangement along the bc plane of the unit cell. In addition to this, C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.8102 (11) and 3.8803(12) Å], which run along the b-axis direction, stabilize the mol-ecular packing.

| S-EPMC3998543 | 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