Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2E,5E)-2,5-Difurfurylidenecyclo-penta-none.

ABSTRACT: In the title mol-ecule, C(15)H(12)O(3), the three five-membered rings are nearly coplanar: the dihedral angles between the cyclopentanone ring and the furan rings are 3.5?(2) and 9.7?(2)°, and the two furan rings form a dihedral angle of 7.2?(2)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds help to consolidate the crystal packing.

SUBMITTER: Ma SY

PROVIDER: S-EPMC2971775 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2E,5E)-2,5-Difurfurylidenecyclo-penta-none.

Ma Shi-Ying SY Zheng Ze-Bao ZB

Acta crystallographica. Section E, Structure reports online 20091114 Pt 12

In the title mol-ecule, C(15)H(12)O(3), the three five-membered rings are nearly coplanar: the dihedral angles between the cyclopentanone ring and the furan rings are 3.5 (2) and 9.7 (2)°, and the two furan rings form a dihedral angle of 7.2 (2)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds help to consolidate the crystal packing. ...[more]

PMID: 21578814

Similar Datasets

(2E,5E)-2,5-Bis(3,4,5-trimethoxy-benzyl-idene)cyclo-penta-none.

Project description:The title compound, C(25)H(28)O(7), was prepared by the base-catalysed reaction of 3,4,5-trimethoxy-benzaldehyde with cyclo-penta-none. The mol-ecule has crystallographic twofold rotation symmetry and adopts an E-configuration about the central olefinic bonds. The two benzene rings and the central cyclo-penta-none ring are almost coplanar [dihedral angle = 4.7?(2)°].

| S-EPMC2959310 | biostudies-literature

(2E,5E)-2,5-Bis(4-hy-droxy-3-meth-oxy-benzyl-idene)cyclo-penta-none ethanol monosolvate.

Project description:In the title structure, C21H20O5·C2H5OH, the curcumine-type mol-ecule has a double E conformation for the two benzyl-idene double bonds [C=C = 1.342 (4) and 1.349 (4) Å] and is nearly planar with respect to the non-H atoms (r.m.s. deviation from planarity = 0.069 Å). The two phenolic OH groups form bifurcated hydrogen bonds with intra-molecular branches to adjacent meth-oxy O atoms and inter-molecular branches to either a neighbouring mol-ecule or an ethanol solvent mol-ecule. The ethanol O atom donates a hydrogen bond to the keto O atom. These hydrogen bonds link the constituents into layers parallel to (101) in the crystal structure.

| S-EPMC3629584 | biostudies-literature

(2E,6E)-2,6-Bis(2,5-difluoro-benzyl-idene)cyclo-hexa-none.

Project description:In the title compound, C(20)H(14)F(4)O, a derivative of curcumin, the dihedral angle between the two aromatic rings is 27.19?(13)°. The C=C double bonds have an E configuration.

| S-EPMC2979293 | biostudies-literature

(E,E)-2,5-Bis(4-tert-butyl-benzyl-idene)-cyclo-penta-none.

Project description:The asymmetric unit of the title compound, C(27)H(32)O, contains two and a half mol-ecules. In the crystal structure, one of the mol-ecules lies on a crystallographic twofold rotation axis. The dihedral angles between the benzene rings are 12.17?(6), 16.29?(11) and 51.24?(8)° for the three molecules. The dihedral angles between the benzene rings of each molecule in the asymmetric unit are 12.17?(6) and 16.29?(11)°

| S-EPMC2960633 | biostudies-literature

(2E,6E)-2,6-Difurfurylidenecyclo-hexa-none.

Project description:The complete mol-ecule of the title compound, C(16)H(14)O(3), is generated by crystallographic mirror symmetry, with two C atoms and one O atom lying on the mirror plane. The mol-ecule adopts an E configuration about the C=C bond and the dihedral angle between the furan rings is 16.1?(2)°.

| S-EPMC2972156 | biostudies-literature

3-Penta-none 2,4-dinitro-phenyl-hydrazone.

Project description:Crystals of the title compound, C(11)H(14)N(4)O(4), were obtained from a condensation reaction of 2,4-dinitro-phenyl-hydrazine and 3-penta-none. In the crystal structure, the mol-ecule, except one methyl group, displays a nearly planar structure. The imino group links to the adjacent nitro group via intra-molecular hydrogen bonding. The partially overlapped arrangement and face-to-face separation of 3.410 (9) Å between parallel benzene rings indicate the existence of π-π stacking between adjacent mol-ecules. The crystal structure also contains weak inter-molecular C-H⋯O hydrogen bonding.

| S-EPMC2961742 | biostudies-literature

(2E,25E)-11,14,17,33,36,39,42-Hepta-oxa-penta-cyclo-[41.4.0.0.0.0]hepta-tetra-conta-1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetra-decaene-4,24-dione.

Project description:The title compound, C(40)H(40)O(9), is a product of the double crotonic condensation of bis-(2-acetyl-phen-oxy)-3-oxapentane with bis-(2-formyl-phen-oxy)-3,6-dioxaoctane. The title macromolecule includes the 31-crown-7-ether skeletal unit and adopts a saddle-like conformation. The two ethyl-ene fragments have E configurations. The volume of the inter-nal cavity of the macrocycle is approximately 125?Å(3). In the crystal, the mol-ecules are arranged at van der Waals distances.

| S-EPMC3089172 | biostudies-literature

2,5-Diphenyl-penta-2,4-dienenitrile.

Project description:In the title compound, C(17)H(13)N, the dihedral angle between the two phenyl rings is 17.6?(1)°. An inter-molecular C-H?N hydrogen bond is found in the crystal structure, also a C-H?? inter-action involving the phenyl ring at position 5.

| S-EPMC2971126 | biostudies-literature

(2E,6E)-2,6-Bis(2,4,5-trimethoxy-benzyl-idene)cyclo-hexa-none.

Project description:In the title compound, C(26)H(30)O(7), one atom in the cyclo-hexa-none ring is disordered over two positions with a site-occupancy ratio of 0.871?(6):0.129?(6). The dihedral angles formed between the mean plane through the six C atoms of the major component of the cyclo-hexa-none ring and two benzene rings are 35.09?(10) and 34.21?(10)°; the corresponding angles for the minor component are 20.1?(2) and 19.5?(2)°. Both the major and minor disordered components of the cyclo-hexa-none ring adopt half-boat conformations. In the crystal packing, inter-molecular C-H?O hydrogen bonds connect the mol-ecules into a three-dimensional network.

| S-EPMC2983730 | biostudies-literature

(2E,6E)-2,6-Bis(4-ethoxy-benzyl-idene)cyclo-hexa-none.

Project description:The title compound, C(24)H(26)O(3), was prepared by the condensation reaction of 4-ethoxy-benzaldehyde with cyclo-hexa-none. The mol-ecule has crystallographic mirror symmetry and exhibits a butterfly-shaped geometry, with a dihedral angle of 5.46 (1)° between the two benzene rings. Weak inter-molecular C-H⋯π inter-actions help stabilize the crystal structure.

| S-EPMC2959723 | 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