Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Zeng WL

PROVIDER: S-EPMC3009085 | biostudies-other | 2010 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Zeng Wu-Lan WL Suo Jin-Long JL Jian Fang-Fang FF

Acta crystallographica. Section E, Structure reports online 20101020 Pt 11

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. ...[more]

PMID: 21589023

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

(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

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

Project description: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.

| S-EPMC3051531 | biostudies-literature

1,5-Bis(4-meth-oxy-benzyl-idene)thio-carbonohydrazide methanol monosolvate.

Project description:In the title compound, C(17)H(18)N(4)O(2)S·CH(3)OH, the two benzene rings in the thio-carbonohydrazide mol-ecule form a dihedral angle of 22.42?(18)°. Pairs of N-H?S hydrogen bonds link thio-carbonohydrazide mol-ecules into centrosymmetric dimers. Methanol solvent mol-ecules serve as donors (O-H?S and O-H?N) and acceptors (N-H?O and C-H?O) of weak inter-molecular hydrogen bonds, which link further these dimers into double ribbons along the b axis.

| S-EPMC3213573 | biostudies-literature

1,5-Bis(2-meth-oxy-benzyl-idene)thio-carbonohydrazide methanol monosolvate.

Project description:The title compound, C17H18N4O2S·CH3OH, was synthesized by the condensation reaction of o-meth-oxy-benzaldehyde with thio-carbohydrazide in methanol. The two benzene rings are inclined each to other at 31.7 (1)°. Inter-molecular N-H⋯O and bifurcated O-H⋯N(S) hydrogen bonds link two thio-carbonohydrazide and two solvent mol-ecules into a centrosymmetric unit. These units, related by translation along the b axis, are further aggregated into columns through N-H⋯S hydrogen bonds.

| S-EPMC3770410 | biostudies-literature

5''-(4-Meth-oxy-benzyl-idene)-7'-(4-meth-oxy-phen-yl)-1''-methyl-5',6',7',7a'-tetra-hydro-dispiro-[acenaphthene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-piperidine]-2,4''-dione.

Project description:In the title compound, C(37)H(34)N(2)O(4)S, the piperidine ring adopts a half-chair conformation. The thia-zole ring adopts a slightly twisted envelope conformation and the pyrrole ring adopts an envelope conformation; in each case, the C atom linking the rings is the flap atom. An intra-molecular C-H⋯O inter-action is noted. The crystal structure is stabilized by C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3238875 | biostudies-literature

1,5-Bis[(2-meth-oxy-eth-oxy)meth-yl]-1,5-naphthyridine-4,8(1H,5H)-dione.

Project description:The complete mol-ecule of the title compound, C(16)H(22)N(2)O(6), is generated by crystallographic inversion symmetry. The conformation of the N-C-O-C fragment of the side chain is approximately gauche [torsion angle = -74.84 (17)°]. In the crystal, weak C-H⋯O inter-actions link the mol-ecules.

| S-EPMC3274977 | biostudies-literature

(E)-2,4-Dihydr-oxy-N'-(2-hydr-oxy-3-meth-oxy-5-nitro-benzyl-idene)benzohydrazide dihydrate.

Project description:The asymmetric unit of the title compound, C(15)H(13)N(3)O(7)·2H(2)O, consists of a hydrazone mol-ecule and two solvent water mol-ecules. The mol-ecule adopts an E configuration with respect to the C=N bond. It is relatively planar, with a dihedral angle between the two benzene rings of 2.6?(1)°. There are intra-molecular O-H?N and O-H?O hydrogen bonds in the hydrazone mol-ecule. In the crystal structure, symmetry-related mol-ecules are linked through inter-molecular N-H?O and O-H?O hydrogen bonds to form a three-dimensional network.

| S-EPMC2979277 | biostudies-literature

1,5-Bis(2-hy-droxy-3-meth-oxy-benzyl-idene)carbonohydrazide methanol 0.47-solvate.

Project description:In the title compound, C17H18N4O5·0.47CH3OH, the virtually planar (r.m.s. deviation = 0.128 Å) carbonohydrazide mol-ecule is located on a twofold axis and conformation of its C=N bonds is E. There are short intra-molecular O-H⋯N hydrogen bonds between the hy-droxy groups and hydrazide N atoms. In the crystal, bifurcated N-H⋯(O,O) hydrogen bonds assemble the carbonohydrazide mol-ecules into a three-dimensional network. There are C 2 symmetric voids in this network, 47% of which are occupied by disordered methanol mol-ecules.

| S-EPMC3998575 | 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