Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,9,16,19,22,25-Hexaoxatetra-cyclo-[24.4.0.2.0]dotriaconta-1(26),4,6,10(15),11,13,27,29,31-nona-ene.

ABSTRACT: The title 22-crown-6 unit, C(26)H(28)O(6), comprising of three benzo groups and triethyl-ene glycol, was prepared by the reaction of ?,?'-dibromo-p-xylene with 1,8-bis-(2-hydroxy-phen-oxy)-3,6-dioxaoctane in the presence of Cs(2)CO(3) with tetra-hydro-furan (THF) and recrystallized from dichloro-methane-hexane (1:20 v/v) at room temperature. In the mol-ecular structure, two O atoms of the central ethyl-ene glycol in the triethyl-ene glycol unit exhibit exo conformations due to intra-molecular C-H?O inter-actions. A number of C-H?O and C-H?? inter-molecular inter-actions contribute to the stabilization of the crystal packing.

SUBMITTER: Lee JY

PROVIDER: S-EPMC2970268 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,9,16,19,22,25-Hexaoxatetra-cyclo-[24.4.0.2.0]dotriaconta-1(26),4,6,10(15),11,13,27,29,31-nona-ene.

Lee Jai Young JY Lee Ji-Eun JE Sim Wonbo W Park Ki-Min KM

Acta crystallographica. Section E, Structure reports online 20090909 Pt 10

The title 22-crown-6 unit, C(26)H(28)O(6), comprising of three benzo groups and triethyl-ene glycol, was prepared by the reaction of α,α'-dibromo-p-xylene with 1,8-bis-(2-hydroxy-phen-oxy)-3,6-dioxaoctane in the presence of Cs(2)CO(3) with tetra-hydro-furan (THF) and recrystallized from dichloro-methane-hexane (1:20 v/v) at room temperature. In the mol-ecular structure, two O atoms of the central ethyl-ene glycol in the triethyl-ene glycol unit exhibit exo conformations due to intra-molecular C- ...[more]

PMID: 21577835

Similar Datasets

15-Hydroxy-ethyl-19-isopropyl-5,9-dimethyl-14,16-dioxo-15-aza-penta-cyclo-[10.5.2.0.0.0]nona-dec-18-ene-5-carboxylic acid.

Project description:The title compound, C(26)H(37)NO(5), which was synthesized from monoethano-lamine and maleopimaric acid, consists of two fused and unbridged cyclo-hexane rings. They form a trans ring junction with a chair conformation. The two methyl groups are in axial positions. In the crystal, inter-molecular O-H?O hydrogen bonds link adjacent mol-ecules into a layer structure. Two C-H?O interactions are also present.

| S-EPMC2970322 | biostudies-literature

Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triaza-penta-cyclo-[19.7.1.0(2,7).0(15,20).0(22,27)]nona-cosa-2,4,6,15(20),16,18,21,26-octa-ene-26-carboxyl-ate.

Project description:The title compound, C33H35N3O5, is the product of the multicomponent condensation of 1-benzyl-4-eth-oxy-carbonyl-piperidin-3-one with 1,5-bis-(2-formyl-phen-oxy)-3-oxapentane and ammonium acetate. The mol-ecule comprises a penta-cyclic system containing the aza-14-crown-4-ether macrocycle, tetra-hydro-pyrimidine, tetra-hydro-pyridine and two benzene rings. The aza-14-crown-4-ether ring adopts a bowl conformation with a dihedral angle of 62.37?(5)° between the benzene rings. The tetra-hydro-pyrimidine ring has an envelope conformation with the chiral C atom as the flap, whereas the tetra-hydro-pyridine ring adopts a distorted chair conformation. Two amino groups are involved in intra-molecular N-H?O hydrogen bonds. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

| S-EPMC3629615 | biostudies-literature

20,23,26,29,32,35,38,41-Octa-oxa-5,9,13-triaza-penta-cyclo-[15.14.10.1.1.1]tetra-tetra-conta-1,3(42),7,9,11(44),15(43),16,18,30-nona-ene-6,12-dione acetone mono-solvate.

Project description:In the crystal structure of the title compound, C(33)H(39)N(3)O(10)·C(3)H(6)O, the acetone mol-ecule is encapsulated into the cavity of the cryptand and fixed by two N-H?O and one C-H?O hydrogen bond. C-H?O and C-H?N inter-actions link neighbouring cryptands. The dihedral angles between the pyridine ring and the benzene rings are 86.47?(17) and 85.53?(13)°.

| S-EPMC3254454 | biostudies-literature

Crystal structure of 26-(4-methyl-phen-yl)-8,11,14,17-tetra-oxa-28-aza-tetra-cyclo[22.3.1.0(2,7).0(18,23)]hexa-cosa-2,4,6,18(23),19,21,24(1),25,27-nona-ene.

Project description:The title compound, C30H29NO4, is a tetra-cyclic system containing a 4-aryl-pyridine fragment, two benzene rings and an aza-17-crown-5 ether moiety, in a bowl-like arrangement. The pyridine ring is inclined to the 4-methyl-phenyl ring by 26.64?(6)°, and by 57.43?(6) and 56.81?(6)° to the benzene rings. The benzene rings are inclined to one another by 88.32?(6)°. In the crystal, mol-ecules are linked by pairs of C-H?N hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked via a number of C-H?? inter-actions, forming a three-dimensional architecture.

| S-EPMC4908512 | biostudies-literature

Cyclo-art-24-ene-3?,26-diol from the leaves of Aglaia exima.

Project description:Cyclo-art-24-ene-3?,26-diol, C(30)H(50)O(2), isolated from the leaves of Aglaia exima, has three six-membered rings fused together that adopt chair conformations. There are two independent mol-ecules in the asymmetric unit. O-H?O hydrogen bond inter-actions between the hydroxyl groups in the 3? and 26 positions lead to the formation of a layer structure parallel to (10).

| S-EPMC3007388 | biostudies-literature

4,5,7,8,17-Penta-hydr-oxy-14,18-dimethyl-6-methyl-ene-3,10-dioxapenta-cyclo-[9.8.0.0.0.0]nona-dec-14-ene-9,16-dione methanol solvate dihydrate.

Project description:The title quassinoid compound, C(20)H(24)O(9)·CH(3)OH·2H(2)O, is a natural eurycomanone isolated from the roots of Eurycoma longifolia. The mol-ecules contain a fused five-ring system, with one tetra-hydro-furan ring adopting an envelope conformation, one tetra-hydro-pyran-2-one ring in a screw boat conformation, one cyclo-hexenone ring in a half-chair conformation and two cyclo-hexane rings in chair conformations. Intra-molecular C-H⋯O inter-actions generate S(5) ring motifs and an O-H⋯O inter-action generates an S(7) ring motif. In the crystal, mol-ecules are linked via inter-molecular O-H⋯O inter-actions along the b axis and further stacked along a axis. The absolute configuration of the title compound was inferred from previously solved structures of its analogues.

| S-EPMC2968991 | biostudies-literature

8-Phenyl-16-thia-penta-cyclo-[6.6.5.0(1,18).0(2,7).0(9,14)]nona-deca-2,4,6,9,11,13,18-hepta-ene.

Project description:In the title compound, C24H18S, the dihedral angles between the phenyl ring and the two benzene rings of the anthracene moiety are 51.92?(9) and 68.24?(9)°, whereas the dihedral angle between the two anthracene benzene rings is 120.13?(9)°. The three non-aromatic six-membered rings are in boat conformations, while the five-membered ring has an envelope conformation on the S atom. In the crystal, there are three C-H?? inter-actions, which facilitate the packing of the mol-ecules.

| S-EPMC3770424 | biostudies-literature

16-Oxa-penta-cyclo-[6.6.5.0(1,18).0(2,7).0(9,14)]nona-deca-2,4,6,9,11,13,18-heptaen-15-one.

Project description:In the title compound, C18H12O2, the benzene rings are inclined to one another by 66.79?(7)°. The five-membered ring is almost planar with a maximum deviation of 0.014?(1)?Å. In the crystal, the mol-ecules are linked by pairs of weak C-H?O interactions into centrosymmetric dimers. These dimers are linked by C-H?? interactions, forming a three-dimensional structure.

| S-EPMC3998282 | biostudies-literature

8,15-Dioxa-10,13-di-aza-tetra-cyclo-[14.4.0.0(2,7).0(9,14)]icosa-1(16),2,4,6,9(14),10,12,17,19-nona-ene.

Project description:The asymmetric unit of the title compound, C16H10N2O2, contains one half-mol-ecule, the complete mol-ecule being generated by twofold rotation symmetry. The plane of the pyrazine ring forms a dihedral angle of 64.87?(6)° with that of the benzene ring, and the planes of the two benzene rings are inclined to one another by 54.20?(6)°. The O atom deviates from the plane of the benzene ring by 0.1549?(8)?Å. There are no significant inter-molecular inter-actions in the crystal.

| S-EPMC3648330 | biostudies-literature

(±)-4,12,15,18,26-Penta-hydroxy-13,17-dioxahepta-cyclo-[14.10.0.0.0.0.0.0]hexa-cosa-1,3(14),6(11),7,9,15,19,21,23-nona-ene-5,25-dione monohydrate.

Project description:The title compound, C(24)H(14)O(9)·H(2)O, displays a cup-shaped form. The water mol-ecule is disordered over two set of sites with an occupancy ratio of 0.78:0.22. The mol-ecule of the compound has four stereocenters and corresponds to the SSRR/RRSS diastereoisomer. In the mol-ecule, the maximum dihedral angle between the planar benzene rings is 80.40 (4)°. The H atoms of the hy-droxy groups are engaged in hydrogen bonding, forming infinite chains parallel to the a axis. These chains are inter-linked through water mol-ecules, resulting in the formation of a two-dimensional network parallel to the (001) plane. Futhermore C-H⋯O, C-H⋯π and slipped π-π inter-actions result in the formation of a three-dimensional network.

| S-EPMC3099947 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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