Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Cyclo-hexyl-6,7-dimeth-oxy-1,4-di-hydro-naphthalene.

ABSTRACT: The title compound, C18H24O2, was isolated from the leaves extract of Ficus carica L. The cyclo-hexane ring displays a chair conformation whereas the cyclo-hexa-1,4-diene ring adopts a flattened boat conformation with methyl C atoms at the prow and stern. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds into supra-molecular chains propagated along the b-axis direction.

SUBMITTER: Chen SY

PROVIDER: S-EPMC4051087 | biostudies-other | 2014 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1-Cyclo-hexyl-6,7-dimeth-oxy-1,4-di-hydro-naphthalene.

Chen Shao-Yuan SY Zhang Ya-Ping YP Huang Bing B Yu Jia-Jun JJ Shi Wei-Yong WY

Acta crystallographica. Section E, Structure reports online 20140517 Pt 6

The title compound, C18H24O2, was isolated from the leaves extract of Ficus carica L. The cyclo-hexane ring displays a chair conformation whereas the cyclo-hexa-1,4-diene ring adopts a flattened boat conformation with methyl C atoms at the prow and stern. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into supra-molecular chains propagated along the b-axis direction. ...[more]

PMID: 24940252

Similar Datasets

6,7-Dimeth-oxy-1,4-anthraquinone.

Project description:The mol-ecule of the title compound, C(16)H(12)O(4), is almost planar; the two meth-oxy groups are slightly out of the plane of the anthraquinone ring system, with C-C-O-C torsion angles of -6.25?(19) and -10.22?(19)°. In the crystal structure, the mol-ecules adopt a herringbone arrangement and form face-to-face slipped anti-parallel ?-? stacking inter-actions along the b axis, with an inter-planar distance of 3.278?(2)?Å.

| S-EPMC2960635 | biostudies-literature

Methyl 1-cyclo-hexyl-6,7-dimeth-oxy-3,4-dihydro-isoquinoline-3-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(19)H(25)NO(4). A single C-H?? inter-action and various inter-molecular contacts (2.65-2.83?Å) link the independent mol-ecules in the crystal structure. The N-containing six-membered ring assumes a twisted half-boat conformation.

| S-EPMC3100070 | biostudies-literature

6,7-Dimeth-oxy-2,4-di-phenyl-quinoline.

Project description:In the title structure of the title compound, C23H19NO2, two conformationally similar mol-ecules (A and B) comprise the asymmetric unit. The dihedral angle between phenyl rings bridged by the quinoline moiety are 76.25?(8)° in mol-ecule A and 70.39?(9)° in mol-ecule B. In the crystal, the independent mol-ecules are connected by C-H?O hydrogen bonds and the resulting dimeric aggregates are linked by ?-? [inter-centroid distance = 3.7370?(8)?Å] and C-H?? inter-actions, forming a three-dimensional architecture.

| S-EPMC3998322 | biostudies-literature

N-Cyclo-hexyl-N-{[3-(4,6-dimeth-oxy-pyrimidin-2-yl-oxy)pyridin-2-yl]meth-yl}4,6-dimeth-oxy-pyrimidin-2-amine.

Project description:In the title compound, C(24)H(30)N(6)O(5), the cyclo-hexyl ring adopts a chair conformation, while the remainder of the mol-ecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04?(12) and 75.99?(9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56?(15)° between them. They are also involved in an intra-molecular ?-? stacking inter-action with a distance of 3.6627?(18)?Å between the ring centroids. In the crystal, C-H?O contacts link the mol-ecules into chains along the b axis.

| S-EPMC3344196 | biostudies-literature

4-Chloro-6,7-dimeth-oxy-quinoline.

Project description:The title mol-ecule, C(11)H(10)ClNO(2), is almost planar with the C atoms of the meth-oxy groups deviating by -0.082?(2) and 0.020?(2)?Å from the least-squares plane defined by the atoms of the quinoline ring system (r.m.s. deviation = 0.002?Å). An intra-molecular C-H?Cl inter-action generates an S(5) ring motif.

| S-EPMC3247411 | biostudies-literature

Ortho-rhom-bic polymorph of (6,7-dimeth-oxy-1,2,3,4-tetra-hydro-isoquinolin-1-yl)methanol.

Project description:The asymmetric unit of the title compound, C(12)H(17)NO(3), contains two mol-ecules with different conformations. It is a polymorph of the monoclinic form [El Antri et al. (2004 ?). Mol-ecules, 9, 650-657]; the samples were crystallized at different temperatures from the same solvent. In both structures, mol-ecules are linked by O-H?N hydrogen bonds, forming chains. The conformations of the chains and their packing differ markedly in the two polymorphs.

| S-EPMC3151966 | biostudies-literature

(1S,3S)-Methyl 6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.

Project description:In the title compound, C(19)H(21)NO(4), an organocatalyst with a tetra-hydro-isoquinoline backbone, the heterocyclic ring assumes a half-boat conformation. The dihedral angle between the aromatic rings is 82.93?(8)°. In the crystal, mol-ecules are linked via N-H?O and C-H?O hydrogen bonds, forming a layer parallel to (10[Formula: see text]).

| S-EPMC3120575 | biostudies-literature

Crystal structure of dimethyl 2,5-bis-[(di-phen-oxy-phosphor-yl)-oxy]cyclo-hexa-1,4-diene-1,4-di-carboxyl-ate.

Project description:In the title compound, C34H30O12P2, which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo-hexa-nedi-carboxyl-ate with diphenyl chloro-phosphate, the mol-ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo-hexa-1,4-diene ring and those of the two benzene rings of the substituent phosphate groups are 41.0?(1) and 89.5?(1)°, while that with the ester group is 3.1?(3)°. In the crystal, only weak inter-molecular C-H?O hydrogen bonds are present.

| S-EPMC4459327 | biostudies-literature

(1R,3S)-Methyl 6,7-dimeth-oxy-1-(4-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.

Project description:The title compound, C(20)H(23)NO(5), is the third in a series of tetra-hydoisoquinoline (TIQ) compounds that are precursors to novel chiral catalysts. The N-containing six-membered ring assumes a half-boat conformation. No hydrogen bonding is observed in the crystal structure.

| S-EPMC3011791 | biostudies-literature

[(1R,3S)-6,7-Dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinolin-3-yl]methanol 2.33-hydrate.

Project description:The title compound, C(18)H(21)NO(3)·2.33H(2)O, is the fourth reported member in a series of (1R,3S)-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline derivatives used in catalysis as ligands (or their precursors). The N-heterocycle in the structure adopts a half-chair conformation. The dihedral angle between the benzene rings is 77.29?(13)°. There are three ill-resolved water molecules of crystallization in the structure (one of them rotationally disordered about a threefold axis) involved in short contacts probably due to hydrogen bonding.

| S-EPMC3052049 | 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