Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(5E)-Dimethyl 2-bromo-methyl-5-cyclo-hexyl-imino-2-phenyl-2,5-dihydro-furan-3,4-dicarboxyl-ate.

ABSTRACT: The mol-ecule of the title compound, C(21)H(24)BrNO(5), has a planar furan ring [maximum deviation = 0.025 (3) Å]. The carboxy-methyl group in the 3-position is nearly coplanar with this ring [dihedral angle = 7.9 (1)°], whereas that in the 4-position is nearly perpendicular to it [dihedral angle = 78.9 (1) Å].

SUBMITTER: Zonouzi A

PROVIDER: S-EPMC2969086 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(5E)-Dimethyl 2-bromo-methyl-5-cyclo-hexyl-imino-2-phenyl-2,5-dihydro-furan-3,4-dicarboxyl-ate.

Zonouzi Afsaneh A Biniaz Mojtaba M Rahmani Hossein H Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090314 Pt 4

The mol-ecule of the title compound, C(21)H(24)BrNO(5), has a planar furan ring [maximum deviation = 0.025 (3) Å]. The carboxy-methyl group in the 3-position is nearly coplanar with this ring [dihedral angle = 7.9 (1)°], whereas that in the 4-position is nearly perpendicular to it [dihedral angle = 78.9 (1) Å]. ...[more]

PMID: 21582482

Similar Datasets

Diethyl 2,5-diphenyl-furan-3,4-dicarboxyl-ate.

Project description:In the title compound, C(22)H(20)O(5), the substituted benzene rings are twisted away from the furan ring, making dihedral angles of 54.91 (14) and 20.96 (15)° with the furan ring. The dihedral angle between the two benzene rings is 46.89 (13)°. One ethyl group of one eth-oxy-carbonyl unit is disordered over two sets of sites with occupancies of 0.56 (12) and 0.44 (12). In the crystal, weak intra-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3011628 | biostudies-literature

Diethyl 2,5-bis-[(2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-yl)methyl-idene-amino]-thio-phene-3,4-dicarboxyl-ate acetone monosolvate.

Project description:The unique 3,4-ethyl-ene-dioxy-thio-phene (EDOT) unit of the title compound, C(24)H(22)N(2)O(8)S(3)·C(3)H(6)O, is twisted by 1.9 (3)° relative to the central thio-phene ring. The three heterocyclic units are anti-periplanar. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds connect the heterocycles. π-π interactions occur between the central thiophene and the imine bond of the molecule [distance between the ring centroid of the ring and the azomethine bond = 3.413 (3) Å.

| S-EPMC3238813 | biostudies-literature

Diethyl 3,4-dimethyl-thieno[2,3-b]thio-phene-2,5-dicarboxyl-ate.

Project description:In the title compound, C14H16O4S2, the thieno[2,3-b]thio-phene ring systems are planar [maximum deviation = 0.008 (2) Å]. The mol-ecular conformation is stabilized by intra-molecular C-H⋯O hydrogen bonds, while the crystal packing is stabilized by C-H⋯O, C-H⋯π and π-π stacking [centroid-centroid distance = 3.6605 (14) Å] inter-actions, which lead to supra-molecular layers in the ab plane.

| S-EPMC3588935 | biostudies-literature

Diethyl 2,3-dihydro-thieno[3,4-b]-1,4-dioxine-5,7-dicarboxyl-ate.

Project description:The title compound, C(12)H(14)O(6)S, is a dicarboxylic acid diethyl ester of 3,4-ethyl-enedioxy-thio-phene, which is a component of electrically conductive poly(3,4-ethyl-enedioxy-thio-phene) (PEDOT). The ethyl-ene group is disordered over two sites with occupancy factors 0.64 and 0.36. Both the carbonyl groups are coplanar with the thio-phene ring. The mol-ecules form centrosymmetric dimers with an R(2) (2)(12) coupling by inter-molecular C-H⋯O hydrogen bonds [3.333 (5) Å] at the ethoxy-carbonyl groups. The dimer units are arranged to form a ribbon-like mol-ecular sheet.

| S-EPMC2960460 | biostudies-literature

3,4-Bis[4-(4-meth-oxy-phen-oxy)phen-yl]-2,5-dihydro-furan-2,5-dione.

Project description:In the crystal structure of the title compound, C(30)H(22)O(7), neighbouring benzene rings are twisted out of the plane of the five-membered ring by 27.30?(3) and 45.47?(3)°.

| S-EPMC3120473 | biostudies-literature

Diethyl 2,5-bis-[(E)-2-furylmethyl-ene-amino]thio-phene-3,4-dicarboxyl-ate.

Project description:The title compound, C(20)H(18)N(2)O(6)S, crystallizes as two independent mol-ecules that are disposed about a pseudo-inversion center (1/2, 1/4, 1/8). The mean planes of the two terminal furyl rings are twisted with respect to the central thio-phene ring by 7.33 (4) and 21.74 (5)° in one mol-ecule, and by 6.91 (4) and 39.80 (6)° in the other.

| S-EPMC2960980 | biostudies-literature

Methyl 1-cyclo-hexyl-6,7-dimeth-oxy-3,4-dihydro-isoquinoline-3-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(19)H(25)NO(4). A single C-H⋯π inter-action and various inter-molecular contacts (2.65-2.83 Å) link the independent mol-ecules in the crystal structure. The N-containing six-membered ring assumes a twisted half-boat conformation.

| S-EPMC3100070 | biostudies-literature

Diisopropyl pyrazine-2,5-dicarboxyl-ate.

Project description:The mol-ecule of the title compound, C(12)H(16)N(2)O(4), is located on an inversion center. The carboxyl-ate groups are twisted slightly with respect to the pyrazine ring, making a dihedral angle of 6.4 (3)°.

| S-EPMC3007933 | biostudies-literature

Diethyl pyrazine-2,5-dicarboxyl-ate.

Project description:The mol-ecule of the title compound, C(10)H(12)N(2)O(4), is located around an inversion center. The carboxyl-ate groups are twisted slightly with respect to the pyrazine ring, making a dihedral angle of 2.76 (19)°. In the crystal, mol-ecules are stacked along the c axis via weak C-H⋯O hydrogen bonds.

| S-EPMC3394027 | biostudies-literature

Diethyl 3,4-bis(acetoxy-meth-yl)thieno[2,3-b]thio-phene-2,5-dicarboxyl-ate.

Project description:In the title compound, C(18)H(20)O(8)S(2), the dihedral angle between the two thio-phene rings is 2.33 (7)°. The methyl C atoms of the ester groups are disordered over two positions; the site-occupancy factors of the terminal methyl C atoms are 0.632 (18):0.368 (18) and 0.623 (17):0.377 (17). The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions and the crystal structure is stabilized through weak inter-molecular C-H⋯O inter-actions.

| S-EPMC2970297 | 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