Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(4-Bromo-benzyl-idene)-1,5-dioxaspiro-[5.5]undecane-2,4-dione.

ABSTRACT: The title mol-ecule, C(16)H(15)BrO(4), was prepared by the reaction of (R)-2,4-dioxo-1,5-dioxaspiro-[5.5]undecane and 4-bromo-benzaldehyde with ethanol. The 1,3-dioxane ring exhibits a distorted boat and the fused cyclo-hexane ring exhibits a chair conformation.

SUBMITTER: Zeng WL

PROVIDER: S-EPMC3051531 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(4-Bromo-benzyl-idene)-1,5-dioxaspiro-[5.5]undecane-2,4-dione.

Zeng Wu-Lan WL

Acta crystallographica. Section E, Structure reports online 20110115 Pt 2

The title mol-ecule, C(16)H(15)BrO(4), was prepared by the reaction of (R)-2,4-dioxo-1,5-dioxaspiro-[5.5]undecane and 4-bromo-benzaldehyde with ethanol. The 1,3-dioxane ring exhibits a distorted boat and the fused cyclo-hexane ring exhibits a chair conformation. ...[more]

PMID: 21523094

Similar Datasets

3-(2,4-Dichloro-benzyl-idene)-1,5-dioxa-spiro-[5.5]undecane-2,4-dione.

Project description:In the title mol-ecule, C(16)H(14)Cl(2)O(4), the 1,3-dioxane and cyclo-hexane rings exhibit distorted boat and chair conformations, respectively. In the crystal, a pair of weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into an inversion dimer.

| S-EPMC3120393 | biostudies-literature

3-(4-Fluoro-benzyl-idene)-1,5-dioxa-spiro-[5.5]undecane-2,4-dione.

Project description:In the title mol-ecule, C(16)H(15)FO(4), the fused 1,3-dioxane and cyclo-hexane rings exhibit a bath and a chair conformation, respectively. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC3051599 | biostudies-literature

3-(2-Furylmethyl-ene)-1,5-dioxaspiro-[5.5]undecane-2,4-dione.

Project description:In the title mol-ecule, C(14)H(14)O(5), the 1,3-dioxane ring is in an envelope conformation with the ring C atom common to the cyclo-hexane ring forming the flap. The other five atoms of the 1,3-dioxane ring are essentially planar [maximum deviation from the least-squares plane = 0.041?(3)?Å] and form a dihedral angle of 13.75?(2)° with the furan ring. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds form extended chains along [101].

| S-EPMC2977369 | biostudies-other

3-[(5-Methyl-furan-2-yl)methyl-ene]-1,5-dioxaspiro-[5.5]undecane-2,4-dione.

Project description:There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(15)H(16)O(5). In each, the 1,3-dioxane ring is in an envelope conformation with the C atom common to the cyclo-hexane ring forming the flap. The dihedral angles between the five essentially planar [maximum deviations from the least-squares planes of 0.049?(3) and 0.042?(3)?Å] atoms of the 1,3-dioxane ring and the furan ring in the two mol-ecules are 7.15?(1) and 6.80?(1)°. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2977103 | biostudies-literature

3-(4-Meth-oxy-benzyl-idene)-1,5-dioxa-spiro-[5.5]undecane-2,4-dione.

Project description:In the title mol-ecule, C(17)H(18)O(5), which was prepared by the reaction of (R)-1,5-dioxaspiro-[5.5]undecane-2,4-dione and 4-meth-oxy-benzaldehyde with ethanol, the 1,3-dioxane ring is in a distorted envelope conformation with the spiro C atom forming the flap. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3009085 | biostudies-other

(Z)-3-(3-Phenyl-allyl-idene)-1,5-dioxa-spiro-[5.5]undecane-2,4-dione.

Project description:In the title compound, C(18)H(18)O(4), the 1,3-dioxane ring adopts a distorted envelope conformation with the C atom common to the cyclo-hexane ring forming the flap. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds occur.

| S-EPMC2970375 | biostudies-literature

Butane-2,3-dione bis-[(4-bromo-benzyl-idene)hydrazone].

Project description:The title compound, C(18)H(16)Br(2)N(4), is a linear double Schiff base compound having two parallel 4-bromo-phenyl groups connected across a crystallographic inversion centre by flexible C-C and C=N-N=C bonds and stabilized in the solid state by weak inter-molecular Br?Br inter-actions [3.7992?(11)?Å], generating an infinite two-dimensional network structure.

| S-EPMC2979033 | biostudies-literature

3-(12-Bromo-dodec-yl)-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring in the title compound, C(23)H(35)BrN(2)O(2), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow). The bromo-dodecyl substituent occupies an equatorial position, with the dodecyl chain exhibiting an extended conformation. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3009360 | biostudies-literature

(E)-3-Bromo-N'-(2,4-dichloro-benzyl-idene)benzohydrazide.

Project description:The title compound, C(14)H(9)BrCl(2)N(2)O, was synthesized by the reaction of 2,4-dichloro-benzaldehyde with an equimolar quantity of 3-bromo-benzohydrazide in methanol. The mol-ecule displays an E configuration about the C=N bond. The dihedral angle between the two benzene rings is 5.3 (2)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming chains running along the c axis.

| S-EPMC2969972 | biostudies-literature

2-[(E)-(2,4-Dichloro-benzyl-idene)amino]-isoindoline-1,3-dione.

Project description:In the title compound, C(15)H(8)Cl(2)N(2)O(2), the mol-ecule adopts an E configuration about the central C=N double bond. The isoindoline ring is essentially planar, with a maximum deviation of 0.019?(2)?Å. The dihedral angle between the isoindoline ring and the dichloro-substituted benzene ring is 6.54?(9)°. An intra-molecular C-H?O hydrogen bond occurs. A short Cl?Cl contact of 3.4027?(9)?Å is present in the crystal structure. The crystal packing is further stabilized by weak C-H?? inter-actions.

| S-EPMC3151809 | 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