Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Cyclo-hexyl-4-methyl-tetra-hydro-pyran-4-ol.

ABSTRACT: In the title compound, C(12)H(22)O(2), the 4-methyl-tetra-hydro-pyran-4-ol ring adopts a conformation close to that of a chair and with the two O atoms syn; the cyclo-hexyl group occupies an equatorial position and adopts a chair conformation. In the crystal packing, supra-molecular chains along the b axis are sustained by O-H?O hydrogen bonds. These are connected into undulating layers in the ab plane by C-H?O inter-actions.

SUBMITTER: Tiekink ER

PROVIDER: S-EPMC2979019 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Cyclo-hexyl-4-methyl-tetra-hydro-pyran-4-ol.

Tiekink Edward R T ER Macedo Alexandra A Wendler Edison P EP Dos Santos Alcindo A AA Zukerman-Schpector Julio J

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

In the title compound, C(12)H(22)O(2), the 4-methyl-tetra-hydro-pyran-4-ol ring adopts a conformation close to that of a chair and with the two O atoms syn; the cyclo-hexyl group occupies an equatorial position and adopts a chair conformation. In the crystal packing, supra-molecular chains along the b axis are sustained by O-H⋯O hydrogen bonds. These are connected into undulating layers in the ab plane by C-H⋯O inter-actions. ...[more]

PMID: 21579249

Similar Datasets

(5S,6R)-6-Bromo-6-methyl-5-phenyl-3,4,5,6-tetra-hydro-2H-cyclo-penta-[b]pyran-7-one.

Project description:The title compound, C(15)H(15)BrO(2), was synthesized by a Brønsted acid-catalysed domino electrocyclization-halogenation reaction. The five-membered ring is essentially planar (r.m.s. deviation 0.006 Å) and forms a dihedral angle of 72.7 (3)° with the attached phenyl ring. The six-membered heterocycle adopts a half-chair conformation. The crystal packing is stabilized by a C-H⋯O contact.

| S-EPMC3201490 | biostudies-literature

12-Chloro-6-cyclo-hexyl-5,6,7,12-tetra-hydro-dibenzo[c,f][1,5]aza-stibocine.

Project description:In the title organometallic complex, [Sb(C(20)H(23)N)Cl], the central anti-mony-containing part of the complex exhibits a pseudo-trigonal-bipyramidal geometry, where two C atoms and a lone electron pair of the Sb atom exist at the equatorial positions, while the N and Cl atoms are located at the apical positions, and a transannular inter-action exists between the Sb and N atoms on 1,5-aza-stibocine. Inter-molecular C-H?Cl hydrogen bonds are also observed.

| S-EPMC3151782 | biostudies-literature

7,8,9,10-Tetra-hydro-2-methyl-cyclo-hepta-[b]indol-6(5H)-one.

Project description:The title compound, C(14)H(15)NO, was synthesized from 2-hydroxy-methyl-enecyclo-hepta-none via a Japp-Klingemann acid-catalyzed cyclization. The seven-membered ring exhibits a slightly distorted envelope conformation. N-H?O hydrogen bonds form a centrosymmetric dimer; C-H?O hydrogen bonds and ?-? stacking inter-actions (the centers of the atoms involved in the stacking interaction are separated by 3.504?Å) give rise to another type of centrosymmetric dimer. In combination, these inter-actions create a stair-like chain of mol-ecules that inter-acts only loosely with neighboring chains via van der Waals inter-actions and weak C-H?? contacts.

| S-EPMC2961774 | biostudies-literature

4-Methyl-7,8,9,10-tetra-hydro-cyclo-hepta-[b]indol-6(5H)-one.

Project description:In the title compound, C(14)H(15)NO, the seven-membered ring exhibits a slightly distorted twist-boat conformation. The pyrrole ring forms a dihedral angle of 1.44 (10)° with the fused benzene ring. N-H⋯O hydrogen bonds form a centrosymmetric dimer and weak C-H⋯π inter-actions are also found in the crystal structure.

| S-EPMC2968932 | biostudies-literature

2-Isopropyl-5-methyl-cyclo-hexyl N-cyclo-hexyl-P-phenyl-phospho-namidate.

Project description:The title compound, C(22)H(36)NO(2)P, features a P atom bonded to a phenyl ring, a cyclo-hexyl-amine unit and the O atom of a menthyl group. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds connect mol-ecules into a one-dimensional chain in the b direction.

| S-EPMC3007901 | biostudies-literature

N-Cyclo-hexyl-3-methyl-benzamidine.

Project description:The title amidine compound, C14H20N2, prepared by a one-pot reaction, is asymmetric as only one N atom has an alkyl substituent. The terminal cyclo-hexyl group connected to the amino N atom is located on the other side of the N-C-N skeleton to the 4-methylbenzene ring and has a chair conformation. The dihedral angle between the phenyl ring and the NCN plane is 47.87 (12)°. In the crystal, mol-ecules are linked via N-H⋯N hydrogen bonds, forming chains propagating along the a-axis direction.

| S-EPMC3629577 | biostudies-literature

2-[6,8-Dibromo-3-(4-hydroxy-cyclo-hexyl)-1,2,3,4-tetra-hydro-quinazolin-2-yl]-6-methoxy-phenol.

Project description:The title compound, C(21)H(24)Br(2)N(2)O(3), was synthesized by the condensation reaction of 3-methoxy-salicylaldehyde with 4-(2-amino-3,5-dibromo-benzyl-amino)cyclo-hexa-nol in a methanol solution. The dihedral angle between the two benzene rings is 76.4?(3)°. The cyclo-hexyl ring adopts a chair configuration. There is an intra-molecular O-H?N hydrogen bond which affects the solid state conformation of the mol-ecule. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds, forming chains running along the b axis.

| S-EPMC2968568 | biostudies-literature

(1S,2R,3S,6S,7R)-3,7,11,11-Tetra-methyl-6,7-epoxybi-cyclo-[5.4.0]undecane-2-ol.

Project description:The title compound, C15H26O2, was synthesized from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the Atlas cedar (cedrus atlantica). The mol-ecule is built up from a seven-membered ring to which a six- and a three-membered ring are fused. The seven- and six-membered rings each have a twist-boat conformation. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into zigzag chains running along the b-axis direction.

| S-EPMC4011231 | biostudies-literature

Crystal structure of 3a,6,6,9a-tetra-methyl-dodeca-hydro-naphtho-[2,1-b]furan-2-ol.

Project description:The title compound (common name: sclaral), C16H28O2, is a sclareolide derivative, which was synthesized from sclareolide itself. In the mol-ecule, the two six-membered rings, A and B, of the labdane skeleton adopt chair conformations and the five-membered O-containing heterocyclic ring C displays an envelope conformation, with the methine C atom of the fused C-C bond as the flap. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains propagating along [100].

| S-EPMC4647384 | biostudies-literature

Monoclinic form of 1,2,4,5-tetra-cyclo-hexyl-benzene.

Project description:The mol-ecule of the title compound, C(30)H(46), has a crystallographically imposed inversion center and the cyclo-hexyl groups are oriented with their methine H atoms pointing towards one another (H⋯H = 1.99 Å). The cyclohexyl groups adopt chair conformations. A significant C-H⋯π inter-action assembles mol-ecules into layers parallel to (100).

| S-EPMC2960273 | 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