Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

8-Methyl-5-methyl-ene-2-oxotricyclo[5.3.1.1]dodecan-endo-8-ol.

ABSTRACT: The title compound, C(14)H(20)O(2), crystallizes with homochiral chains of mol-ecules hydrogen bonded together along the b axis. Adjacent chains in the ab plane contain mol-ecules of the same chirality, leading to a chiral segregation of the mol-ecules into layers.

SUBMITTER: Chan IY

PROVIDER: S-EPMC2961091 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1,1'-(Phenyl-methyl-ene)dinaphthalen-2-ol.

Project description:In the title compound, C(27)H(20)O(2), the phenyl ring is oriented with respect to the naphthalene ring systems at 57.87?(6) and 85.12?(6)°. The two naphthalene ring systems make a dihedral angle of 70.10?(4)°. In the mol-ecule, the hy-droxy groups are involved in a strong intra-molecular O-H?O hydrogen bond. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds occur. A weak C-H?? inter-action is also observed in the crystal.

| S-EPMC3295414 | biostudies-other

Crystal structure of 1,1'-[imidazolidine-1,3-diylbis(methyl-ene)]bis-(naphthalen-2-ol).

Project description:The crystal structure of the title compound, C25H24N2O2, at 173?K has monoclinic (C2/c) symmetry. The mol-ecule is located on a crystallographic twofold rotation axis with only half a mol-ecule in the asymmetric unit. The imidazolidine ring adopts a twist conformation, with a twist about the ring C-C bond. The crystal structure shows the anti-clinal disposition of the two (2-hy-droxy-naphthalen-1-yl)methyl substituents of the imidazolidine ring. The structure displays two intra-molecular O-H?N hydrogen bonds, each forming an S(6) ring motif.

| S-EPMC4350733 | biostudies-literature

(1S,3S,8R,10R,11R)-3,7,7,10-Tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodecan-11-ol.

Project description:The title compound, C16H28O, was synthesized by three steps from ?-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the essential oil of the Atlas cedar (Cedrus atlantica). The mol-ecule is built up from fused six- and seven-membered rings and an appended three-membered ring. The six-membered ring has twist-boat conformation, whereas the seven-membered ring displays a chair conformation. In the crystal, mol-ecules are linked into chains propagating along the a-axis direction by O-H?O hydrogen bonds.

| S-EPMC3793829 | biostudies-other

Crystal structure of 7,7'-[(pyridin-2-yl)methyl-ene]bis-(5-chloro-quinolin-8-ol).

Project description:In the title compound, C24H15Cl2N3O2, one quinoline ring system is essentially planar and the other is slightly bent. An intra-molecular O-H?N hydrogen bond involving the hy-droxy group and a pyridine N atom forms an S(5) ring motif. In the crystal, two mol-ecules are associated into an inversion dimer with two R 2 2(7) ring motifs through inter-molecular O-H?N and O-H?O hydrogen bonds. The dimers are further linked by an inter-molecular C-H?O hydrogen bond and four C-H?? inter-actions, forming a two-dimensional network parallel to (001).

| S-EPMC7405569 | biostudies-literature

4,4'-[2,5-Bis(dodec-yloxy)-p-phenyl-ene]bis-(2-methyl-but-3-yn-2-ol).

Project description:In the title compound, C(40)H(66)O(4), the C and O atoms of the propinyl and dodecoxyl substituents are nearly coplanar with the benzene ring, 1.735 (6), 8.804 (1), 8.786 (1) and 9.577 (3)°, respectively. In the crystal, mol-ecules are connected by inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC3006914 | biostudies-literature

(1R,6R)-1-Methyl-8-aza-spiro-[5.6]dodecan-7-one.

Project description:The crystal structure of the title compound, C(12)H(21)NO, has been investigated to establish the absolute stereochemistry at position 1. The absolute stereochemistry at the quaternary centre at position 6 is established to be R using an asymmetric Birch reductive alkyl-ation reaction for which the stereochemical outcome is known. The crystal structure indicates the presence of two conformers of the bicyclic (1R,6R)-spiro-lactam ring system that differ in the conformation adopted by the six-membered ring. In one conformer, the meth-yl group adopts an axial position whereas in the other conformer, the same methyl group adopts an equatorial position. In both conformers, the seven-membered ring adopts a chair conformation. The two conformers of the bicyclic spiro-lactam are connected to each other via inter-molecular N-H?O hydrogen bonds forming a heterodimer. The asymmetric unit contains two such dimers.

| S-EPMC2961468 | biostudies-literature

Crystal structure of (1S,3R,8R,9R)-2,2-di-chloro-3,7,7-tri-methyl-10-methylenetri-cyclo-[6.4.0.0(1,3)]dodecan-9-ol.

Project description:The title compound, C16H24Cl2O, was synthesized by treating (1S,3R,8S,9R,10S)-2,2-di-chloro-3,7,7,10-tetra-methyl-9,10-ep-oxy-tri-cyclo-[6.4.0.0(1,3)]dodecane with a concentrated solution of hydro-bromic acid. It is built up from three fused rings: a cyclo-heptane ring, a cyclo-hexyl ring bearing alkene and hy-droxy substituents, and a cyclo-propane ring bearing two chlorine atoms. The asymmetric unit contains two mol-ecules linked by an O-H?O hydrogen bond. In the crystal, further O-H?O hydrogen bonds build up an R 4 (4)(8) cyclic tetra-mer. One of the mol-ecules presents disorder that affects the seven-membered ring. In both mol-ecules, the six-membered rings display a chair conformation, whereas the seven-membered rings display conformations inter-mediate between boat and twist-boat for the non-disordered mol-ecule and either a chair or boat and twist-boat for the disordered mol-ecule owing to the disorder. The absolute configuration for both mol-ecules is 1S,3R,8R,9R and was deduced from the chemical pathway and further confirmed by the X-ray structural analysis.

| S-EPMC4971863 | biostudies-other

1-Methyl-3-trifluoro-methyl-1H-pyrazol-5-ol.

Project description:In the title compound, C(5)H(5)F(3)N(2)O, the F atoms are disordered over two sets of sites in a 0.64?(3):0.36?(3) ratio. In the crystal structure, O-H?N hydrogen bonds link the mol-ecules into chains and a short C-H?F contact also occurs.

| S-EPMC2970220 | biostudies-literature

2-Ferrocenyl-6-methyl-pyridin-3-ol.

Project description:In the title compound, [Fe(C(5)H(5))(C(11)H(10)NO)], the dihedral angle between the pyridyl and substituted cyclo-penta-dienyl rings is 20.4?(3)°. The H atoms of the methyl group are disordered over two positions; their site-occupation factors were fixed at 0.5. The crystal structure is stabilized by well defined inter-molecular O-H?N and C-H?O hydrogen bonds, leading to the formation of a two-dimensional network parallel to (101).

| S-EPMC2960045 | biostudies-literature

1,1'-[(5-Hy-droxy-methyl-1,3-phenyl-ene)bis-(methyl-ene)]dipyridin-4(1H)-one monohydrate.

Project description:The asymmetric unit of the title compound, C(19)H(18)N(2)O(3), comprises a whole organic dipyridinone mol-ecule plus a water mol-ecule of crystallization. The planes of the pyridinone rings are approximately perpendicular with the plane of the central aromatic ring [dihedral angles = 80.68?(8) and 83.65?(8)°]. The C-O bond of the hy-droxy group subtends an angle of 31.71?(10)° with the plane through the central aromatic ring. The crystal packing is mediated by the presence of several O-H?O hydrogen-bonding inter-actions and while the water mol-ecules form a C(2) (1)(4) chain parallel to the c axis of the unit cell, the pendant hy-droxy groups are engaged in O-H?O=C hydrogen bonds described by a C(1) (1)(12) graph-set motif which runs parallel to the a axis.

| S-EPMC3152136 | 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