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-[(3,5-dimethyl-piperidin-1-yl)meth-yl]-5-methyl-phenol.

ABSTRACT: The title compound, C(21)H(33)NO, crystallizes with three independent mol-ecules in the asymmetric unit. The cyclo-hexane and piperidine rings adopt chair conformations. The crystal packing is stabilized by inter-molecular O-H?N and C-H?O hydrogen bonds, and by weak ?-? stacking inter-actions [centroid-centroid distance = 3.876?(2)?Å].

SUBMITTER: Duan GY

PROVIDER: S-EPMC2968627 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Cyclo-hexyl-4-[(3,5-dimethyl-piperidin-1-yl)meth-yl]-5-methyl-phenol.

Duan Gui-Yun GY Guo Feng-Guang FG Xia Cheng-Cai CC

Acta crystallographica. Section E, Structure reports online 20090204 Pt 3

The title compound, C(21)H(33)NO, crystallizes with three independent mol-ecules in the asymmetric unit. The cyclo-hexane and piperidine rings adopt chair conformations. The crystal packing is stabilized by inter-molecular O-H⋯N and C-H⋯O hydrogen bonds, and by weak π-π stacking inter-actions [centroid-centroid distance = 3.876 (2) Å]. ...[more]

PMID: 21582128

Similar Datasets

Methyl 3,5-bis(cyclo-hexyl-meth-oxy)benzoate.

Project description:In the title compound, C22H32O4, the atoms of the methyl ester group and the alk-oxy O atoms are all coplanar with the central aromatic ring, with an r.m.s. deviation of 0.008 Å. Bonds to the methyl-ene and cyclo-hexyl groups are also very close to this plane, so that the mol-ecule is essentially flat, apart from the cyclo-hexyl groups. The mean planes through the cyclo-hexyl groups are tilted by 30.08 (9) and 36.14 (7)° with respect to the central aromatic ring. In the crystal, pairs of mol-ecules linked by C-H⋯O hydrogen bonds form planar units which are stacked along the a axis, with an average inter-planar distance of 3.549 (2) Å. Stacking appears to be stabilized by further weak C-H⋯O hydrogen bonds.

| S-EPMC3998623 | biostudies-literature

2-{[(2-Hy-droxy-3,5-dimethyl-benz-yl)(meth-yl)amino]-meth-yl}-4,6-dimethyl-phenol.

Project description:In the title compound, C(19)H(25)NO(2), the dihedral angle between the benzene rings is 53.15?(8)°. One of the -OH groups forms an intra-molecular O-H?N link, generating an S(6) ring. The other -OH group forms an inter-molecular O-H?N hydrogen bond in the crystal, generating centrosymmetric R(2) (2)(20) loops.

| S-EPMC3379400 | biostudies-literature

2-Bromo-4-chloro-6-(cyclo-hexyl-imino-meth-yl)phenol.

Project description:The title compound, C(13)H(15)BrClNO, was prepared by the condensation of equimolar quanti-ties of 3-bromo-5-chloro-salicyl-aldehyde with cyclo-hexyl-amine in methanol. There is an intra-molecular O-H⋯N hydrogen bond in the mol-ecule. The cyclo-hexyl ring adopts a chair conformation.

| S-EPMC3238823 | biostudies-literature

2-[(2,4-Dimethyl-phen-yl)imino-meth-yl]-3,5-dimethoxy-phenol.

Project description:X-ray analysis reveals that the title Schiff base compound, C(17)H(19)NO(3), possesses both OH and NH tautomeric character in its mol-ecular structure. The occupancies of the enol and keto tautomers are 0.62?(3) and 0.38?(3), respectively. The presence of the minor keto form could not be confirmed from the IR spectrum. The mol-ecule is approximately planar, the dihedral angle between the planes of the two aromatic rings being 6.97?(8)°. The mol-ecular structure of the major component is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring motif (N-H?O hydrogen bond in the minor component).

| S-EPMC2969358 | biostudies-literature

(E)-4-[(3,5-Dimethyl-phen-yl)imino-meth-yl]-2-meth-oxy-3-nitro-phenol.

Project description:The mol-ecule of the title compound, C(16)H(16)N(2)O(4), exists in the E configuration with respect to the central C=N double bond. The dihedral angle between the two benzene rings is 2.17?(9)?Å. In the crystal, mol-ecules are linked via O-H?N hydrogen bonds into chains that propagate along the b-axis direction. There is also ?-? stacking of inversion-related mol-ecules, with inter-planar spacings of 3.479?(5)?Å and ring centroid-centroid distances of 3.876?(4)?Å.

| S-EPMC3254553 | biostudies-literature

2-[(2,4-Dimethyl-phen-yl)imino-meth-yl]-6-methyl-phenol.

Project description:The title compound, C(16)H(17)NO, is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. The mol-ecule is almost planar, with a dihedral angle of 4.61 (4)° between the aromatic rings. The molecular structure is stabilized by an intramolecular O-H⋯N hydrogen bond which generates a six membered ring.

| S-EPMC2969980 | biostudies-literature

1-Cyclo-hexyl-methyl-3-methyl-2-[(phenyl-imino)(sulfido)meth-yl]benzimidazolium.

Project description:In the zwitterionic title compound, C(22)H(25)N(3)S, the benzimid-azole ring system makes a dihedral angle of 55.69 (11)° with the phenyl ring. In the crystal structure, inter- and intra-molecular C-H⋯S inter-actions occur.

| S-EPMC2961076 | biostudies-literature

4-{[4-(Hy-droxy-meth-yl)piperidin-1-yl]meth-yl}phenol.

Project description:In the title compound, C(13)H(19)NO(2), the piperidine ring has a chair conformation with the exocyclic N-C bond in an equatorial position. In the crystal, mol-ecules are linked head-to-tail by phenol O-H⋯O hydrogen bonds to hy-droxy-methyl-ene O-atom acceptors, forming chains which extend along [100]. These chains form two-dimensional networks lying parallel to (101) through cyclic hydrogen-bonding associations [graph set R(4) (4)(30)], involving hy-droxy O-H donors and piperidine N-atom acceptors.

| S-EPMC3394056 | biostudies-literature

rac-4-Chloro-2-[({2-[(3-chloro-6-hy-droxy-2,4-dimethyl-benz-yl)(meth-yl)amino]-prop-yl}(meth-yl)amino)-meth-yl]-3,5-dimethyl-phenol.

Project description:The title compound, C(23)H(32)Cl(2)N(2)O(2), a potential chiral ligand for coordination chemistry, was prepared by a two-step reaction. The mol-ecule is located on a crystallographic centre of inversion. As a result, the methyl group bonded to the methyl-ene group is disordered over two equally occupied positions, sharing the same site as the H atom of the chiral C atom. As a further consequence of the crystallographic centrosymmetry, the 1,2-diamino-propane unit adopts an anti-periplanar conformation and the two benzene rings are coplanar. The central chain is in an all-trans arrangement. An intra-molecular O-H?N hydrogen bond makes an S(6) ring motif. A C-H?? inter-action links the mol-ecules into one-dimensional chains along the [001] direction.

| S-EPMC3470356 | biostudies-literature

2-tert-Butyl-6-(cyclo-hexyl-imino-meth-yl)-4-meth-oxy-phenol.

Project description:The asymmetric unit of the title Schiff base compound, C(18)H(27)NO(2), contains two independent mol-ecules in which the C=N bond lengths are 1.278?(2) and 1.280?(2)?Å and the cyclo-hexane rings adopt chair conformations. Intra-molecular O-H?N hydrogen bonding between hy-droxy and imine groups and weak C-H?O hydrogen bonds help to stabilize the mol-ecular structure.

| S-EPMC3152047 | biostudies-other

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