Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

16-Isopropyl-5,9-dimethyl-tetra-cyclo-[10.2.2.0.0]hexa-dec-15-ene-5,13,14-tricarboxylic acid dimethyl-formamide disolvate.

ABSTRACT: The title compound, C(24)H(34)O(6)·2C(3)H(7)NO, which was isolated from fumaric-modified rosin, has four asymmetrically fused six-membered rings and three carboxylic acid substituents. It contains two fused and unbridged cyclo-hexane rings, which form a trans ring junction with a chair conformation. The asymmetric unit includes one fumaropimaric acid and two dimethyl-formamide mol-ecules. The crystal structure is stabilized through inter-molecular O-H?O hydrogen bonds between dimethyl-formamide and fumaropimaric acid.

SUBMITTER: Xu X

PROVIDER: S-EPMC2979352 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

16-Isopropyl-5,9-dimethyl-tetra-cyclo-[10.2.2.0.0]hexa-dec-15-ene-5,13,14-tricarboxylic acid dimethyl-formamide disolvate.

Xu Xu X Song Zhan-Qian ZQ Wang Hong-Xiao HX Shang Shi-Bin SB

Acta crystallographica. Section E, Structure reports online 20100512 Pt 6

The title compound, C(24)H(34)O(6)·2C(3)H(7)NO, which was isolated from fumaric-modified rosin, has four asymmetrically fused six-membered rings and three carboxylic acid substituents. It contains two fused and unbridged cyclo-hexane rings, which form a trans ring junction with a chair conformation. The asymmetric unit includes one fumaropimaric acid and two dimethyl-formamide mol-ecules. The crystal structure is stabilized through inter-molecular O-H⋯O hydrogen bonds between dimethyl-formamide ...[more]

PMID: 21579411

Similar Datasets

16-Isopropyl-5,9-dimethyl-tetra-cyclo-[10.2.2.0.0]hexa-dec-15-ene-5,14-dimethanol.

Project description:The title compound, C(23)H(38)O(2), a tetra-cyclo-[10.2.2.0(1,10).0(4,9)] hexa-decane structure, crystallized with four independent mol-ecules in the asymmetric unit. In the crystal, these independent mol-ecules are linked by O-H⋯O hydrogen bonds, forming a polymeric chain propagating in [100].

| S-EPMC3051590 | biostudies-literature

16-Isopropyl-5,9-dimethyl-tetra-cyclo-[10.2.2.0.0]hexa-dec-15-ene-5,13,14-trimethanol ethanol monosolvate.

Project description:The title compound, C(24)H(40)O(3)·C(2)H(6)O, is a substituted tetra-cyclo-[10.2.2.0(1,10).0(4,9)]hexa-decane derivative obtained from the reduction of maleopimaric acid which was isolated from a maleic anhydride modified rosin. In the crystal, the triol mol-ecule and the ethanol solvent mol-ecule are linked by hydroxyl O-H?O hydrogen bonds, giving a two-dimensional network structure.

| S-EPMC3089081 | biostudies-other

16-Isopropyl-5,9-dimethyltetra-cyclo-[10.2.2.0.0]hexa-dec-15-ene-5,14-dicarboxylic acid ethanol hemisolvate.

Project description:In the title compound, C(23)H(34)O(4)·0.5C(2)H(6)O, which was isolated from acrylic modified rosin, the endocyclic compound adopts a tetra-cyclo-[10.2.2.01,10.04,9]hexa-decane structure. In the crystal, the components are linked by O-H?O and C-H? hydrogen bonds.

| S-EPMC2969219 | biostudies-literature

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

3,3'-Diphenyl-1,1'-[2,2'-oxybis(2,1-phenyl-ene)]diurea N,N-dimethyl-formamide disolvate.

Project description:In the structure of the title compound, C(26)H(22)N(4)O(3)·2C(3)H(7)NO, one of the DMF solvent mol-ecules is disordered over two sets of positions in a 0.5:0.5 ratio. In the 1,1'-[2,2'-oxybis(2,1-phenyl-ene)]bis-(3-phenyl-urea) mol-ecule, the two diphenyl-urea segments are linked via an ether O atom and are inclined at an angle of 53.80 (4)° to one another. In the crystal structure, classical N-H⋯O hydrogen bonds link each mol-ecule to two DMF solvent mol-ecules and these aggregates form columns down a through C-H⋯π inter-actions. Additional C-H⋯O inter-actions link the main mol-ecule and the solvent mol-ecules, forming columns of independent zigzag chains along b.

| S-EPMC2915353 | biostudies-literature

Poly[bis-(dimethyl-ammonium) [bis-(dimethyl-amine-?N)tris-(?(2)-terephthalato-?O:O)dizinc(II)] N,N-dimethyl-formamide disolvate hexa-hydrate].

Project description:The title compound, {(C(2)H(8)N)(2)[Zn(2)(C(8)H(4)O(4))(3)(C(2)H(7)N)(2)]·2C(3)H(7)NO·6H(2)O}(n), consists of two-dimensional non-inter-penetrated sheets with 6(3) topology, which are stacked together in an …ABAB… packing mode along the c axis. The distance between adjacent A and B sheets is ca 7.3?Å. In the structure, the Zn(II) center is coordinated by three O atoms from three terephthalate groups and one N atom from one dimethyl-amine ligand, adopting a distorted tetra-hedral geometry. All solvent water mol-ecules are disordered. In the structure, N-H?O and O-H?O hydrogen bonds are observed.

| S-EPMC2970138 | biostudies-literature

Di-μ(2)-methoxo-bis-{[μ-3,10,18,25-tetra-aza-penta-cyclo-[17.4.4.3.1.1]triconta-1(31),2,4(9),5,7,10,12,14,16(32),17,19(24),20,22,25,27,29-hexa-deca-ene-31,32-diolato]dizinc(II)} bis-(perchlorate) N,N-dimethyl-formamide disolvate.

Project description:The title compound, [Zn(4)(C(28)H(18)N(4)O(2))(2)(CH(3)O)(2)](ClO(4))(2)·2C(3)H(7)NO, is a C2 symmetric tetra-nuclear zinc(II) complex comprised of two [Zn(2)L](2+) units bridged by a pair of μ(2)-OMe ligands (where L is the doubly-deprotonated form of the macrocyclic dinucleating ligand derived from the [2 + 2] Schiff base condensation between 2-hy-droxy-benzene-1,3-dicarbaldehyde and 1,2-diamino-benzene). Each Zn(II) atom has a distorted square-pyramidal coordination geometry and the Zn(4)(μ-OMe)(2) unit lies in the cleft formed by two distinctly bent Schiff base ligands. The observed mol-ecular shape is supported by an intra-molecular π-π inter-action between one of the phenolate rings on each of the two ligands [centroid-centroid distance = 3.491 (5) Å]. The methyl groups of the solvent molecule are disordered over two sets of sites in a 0.6:0.4 ratio.

| S-EPMC3052062 | biostudies-literature

Di-chlorido-[6,8,22,24,34,36-hexa-methyl-33,35-diaza-3,11,19,27-tetra-azonia-penta-cyclo[27.3.1.1(5,9).1(13,17).1(21,25)]hexa-triaconta-1(33),5,7,9(34),13,15,17(35),21,23,25(36),29,31-dodeca-ene-?(6) N (3),N (11),N (19),N (27),N (33),N (35)]dipalladium(II) bis(per-chlor-ate) N,N-di-methyl-formamide disolvate methanol disolvate.

Project description:In the crystal structure of the title compound, [Pd2(C36H42N6)Cl2](ClO4)2·2C3H7NO·2CH3OH, the dinuclear Pd(II) complex cation lies on an inversion center. Each Pd(II) ion has a distorted square-planar coordination sphere, defined by three N atoms of the macrocyclic ligand and a chloride ion. The Pd(II) complex cations and the methanol mol-ecules are linked through N-H?O and O-H?O hydrogen bonds, forming a zigzag chain along [101]. An intra-molecular N-H?Cl hydrogen bond is also observed.

| S-EPMC3884468 | 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

exo-1,7-Dimethyl-4-phenyl-10-oxa-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-ene-3,5-dione.

Project description:The title compound, C16H15NO3, consists of an oxabicycle fused to an N-phenyl-substituted pyrrolidine ring anti to the double bond, affording the exo isomer. In the oxabicycle system, the six-membered ring presents a boat conformation, while the heterocyclic rings show envelope conformations with the O atom projected out of the plane. In the crystal, adjacent mol-ecules are linked via weak C-H?O hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C-H?? inter-actions, forming two-dimensional networks lying parallel to the ac plane.

| S-EPMC3885034 | 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