Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,5-Bis(adamantan-1-yl)-1-meth-oxy-benzene.

ABSTRACT: In title compound, C(27)H(36)O, all cyclo-hexane rings within the adamantyl groups adopt chair conformations. There are no obvious inter-molecular hydrogen bonds in the structure, so that van der Waals attractions stabilize the crystal.

SUBMITTER: Li PF

PROVIDER: S-EPMC3344120 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,5-Bis(adamantan-1-yl)-1-meth-oxy-benzene.

Li Peng-Fei PF Sun Jian-Zi JZ Wang Ling L Lv Ya-Li YL Liu Li-Hong LH

Acta crystallographica. Section E, Structure reports online 20120324 Pt 4

In title compound, C(27)H(36)O, all cyclo-hexane rings within the adamantyl groups adopt chair conformations. There are no obvious inter-molecular hydrogen bonds in the structure, so that van der Waals attractions stabilize the crystal. ...[more]

PMID: 22606123

Similar Datasets

1,2-Bis[(3,5-diphenyl-1H-pyrazol-1-yl)meth-yl]benzene.

Project description:The title compound, C(38)H(30)N(4), a potentially mono- and bidentate ligand, does not seem to form palladium complexes similar to other poly(pyrazol-1-ylmeth-yl)benzenes due to the large steric size of the phenyl substituents on the pyrazole rings. The pyrazole rings have a 21.09?(5)° angle between their mean planes and exhibit a trans-like geometry in which the in-plane lone pairs of electrons on the 2-N nitrogen atoms point in opposite directions.

| S-EPMC3415022 | biostudies-literature

3,5-Bis[(pyridin-4-yl)meth-oxy]benzoic acid.

Project description:Single crystals of the title compound, C19H16N2O4, were obtained under hydro-thermal conditions by an unintended recrystallization of the employed microcrystalline starting material. The [(pyridin-4-yl)meth-oxy]benzoic acid unit is nearly planar, with a maximum deviation from the least-squares plane of 0.194?(2)?Å. This plane is inclined by 35.82?(6)° to that defined by the second (pyridin-4-yl)meth-oxy group [in which the largest deviation from the least-squares plane is 0.013?(2)?Å]. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds involving the acid hy-droxy group and a pyridine N atom into chains parallel to [-201].

| S-EPMC3588300 | biostudies-literature

3,5-Bis(4-meth-oxy-phen-yl)-4,5-dihydro-isoxazole.

Project description:In the title compound, C(17)H(17)NO(3), the five-membered isoxazoline ring adopts an envelope conformation with the chiral C atom at the flap position and 0.133 (2) Å out of the mean plane formed by the other four atoms. The two benzene rings form dihedral angles of 6.05 (5) and 81.52 (5)° with the C-C-N-O plane of the isoxazoline ring. The crystal structure is stabilized by weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC3213434 | biostudies-literature

1-Benz-yloxy-2,5-bis-(chloro-meth-yl)-4-meth-oxy-benzene.

Project description:In the title compound, C(16)H(16)Cl(2)O(2), the dihedral angle between the two rings is 52.65?(10)°. The two Cl atoms are trans to one another being displaced by 1.644?(5) and -1.664?(4)?Å from the plane of the benzene ring. Except for the two Cl atoms and the C atoms of the ring of the benz-yloxy group, all the other atoms of the compound lie in the same plane [maximum deviation = 0.056?(3)?Å]. In the crystal, no significant intermolecular interactions are observed.

| S-EPMC3414275 | biostudies-literature

2-[3,5-Bis(4-meth-oxy-phen-yl)-4,5-di-hydro-1H-pyrazol-1-yl]-4,6-bis-(4-meth-oxy-phen-yl)pyrimidine.

Project description:In the title compound, C(35)H(32)N(4)O(4), the pyrazole ring forms a dihedral angle of 15.04?(8)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.95?(8) and 1.86?(7)° with its adjacent meth-oxy-substituted benzene rings, whereas the equivalent angles are 80.24?(9) and 11.55?(9)° for the pyrazole ring and its adjacent benzene rings. The crystal packing features ?-? inter-actions, the centroid-centroid distance between the pyrimidine and methoxyphenyl rings being 3.604?(1)?Å. The pyrazole ring is nearly planar, with a maximum deviation of 0.020?(3)?Å for the -CH(2)- carbon.

| S-EPMC3414322 | biostudies-literature

1-[2,2-Bis(phenyl-sulfon-yl)ethen-yl]-4-meth-oxy-benzene.

Project description:In the title compound, C(21)H(18)O(5)S(2), the two sulfur-bound phenyl rings lie on opposite sides of the meth-oxy-phenyl group, making dihedral angles of 77.58?(8) and 87.45?(8)°with it. The dihedral angle between the sulfur-bound phenyl rings is 57.31?(8)°. In the crystal, ?-? stacking is observed between the two sulfur-bound phenyl rings, with a centroid-centroid distance of 3.878?(1)?Å and a dihedral angle of 7.58?(8)°. The mol-ecules are linked by weak C-H?O and C-H?? contacts.

| S-EPMC3275222 | biostudies-literature

{[2-Methyl-2-(phen-oxy-meth-yl)propane-1,3-di-yl]bis-(-oxy)}di-benzene.

Project description:The title compound, C23H24O3, was obtained in a one-step (60% yield) synthesis from 1,1,1-tris(hydroxymethyl)ethane. It features a tripodal ligand capable of complexing metal centres. One of the three conformations involving the methyl group, the central C-C bond and the phenoxy substituents is antiperiplanar while the two others are synclinal [the corresponding C-C-C-O torsion angles are -174.6?(1), -53.2?(2) and -47.3?(2)°]. In the crystal, C-H?O inter-actions link the molecules into [010] chains.

| S-EPMC4011283 | biostudies-literature

{1,2-Bis[(3,5-dimethyl-1H-pyrazol-1-yl-?N)meth-yl]benzene}-dichloridozinc(II).

Project description:The title zinc complex, [ZnCl(2)(C(18)H(22)N(4))], contains a bidentate 1,2-bis(3,5-dimethyl-1H-pyrazol-1-ylmeth-yl)benz-ene ligand that binds to the zinc atom, forming a nine-membered metallocyclic ring. The geometry about the Zn atom is distorted tetra-hedral, with the largest deviation observed in the magnitude of the Cl-Zn-Cl angle. Similar distortions are observed in the cobalt analogue and related zinc compounds containing metallocyclic rings with more than six members. The copper analogue exhibits a more severe distortion of the metal coordination sphere than is observed in the title compound.

| S-EPMC3238634 | biostudies-literature

3,5-Bis(4-meth-oxy-phen-yl)-4H-1,2,4-triazol-4-amine.

Project description:The title compound, C(16)H(16)N(4)O(2), crystallizes with two mol-ecules in the asymmetric unit, which are related by a non-crystallographic centre of inversion. The phenyl-ene rings are twisted out of the mean plane of the triazole ring by 19.3 (1) and 21.4 (1)° for one independent mol-ecule and by 16.3 (1) and 18.1 (1)° for the other mol-ecule. In the crystal, adjacent mol-ecules are linked by amine-triazole N-H⋯N hydrogen bonds, forming chains running along the a axis.

| S-EPMC3008083 | biostudies-literature

1,4-Dimeth-oxy-2,5-bis-{2-[4-(trifluoro-meth-yl)phen-yl]ethyn-yl}benzene.

Project description:The asymmetric unit of the title compound, C(26)H(16)F(6)O(2), contains one half of the mol-ecule situated on an inversion centre. In the rod-like mol-ecule, the two terminal benzene rings form a dihedral angle of 71.9 (1)° with the central benzene ring. The trifluoro-methyl group is rotationally disordered over two orientations in a 0.53 (1):0.47 (1) ratio. The crystal packing exhibits no classical inter-molecular inter-actions.

| S-EPMC3151946 | 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