Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,2-Bis(4-amino-phen-oxy)ethane.

ABSTRACT: The mol-ecule of the title compound, C(14)H(16)N(2)O(2), is located on a crystallographic twofold rotation axis. The central O-C-C-O bridge adopts a gauche conformation. One of the amine H atoms is disordered over two equally occupied positions. The crystal structure is stabilized by N-H?O and N-H?N hydrogen bonds.

SUBMITTER: Butt MS

PROVIDER: S-EPMC2961458 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,2-Bis(4-amino-phen-oxy)ethane.

Butt M Saeed MS Akhter Zareen Z Bolte Michael M Siddiqi Humaira M HM

Acta crystallographica. Section E, Structure reports online 20080521 Pt 6

The mol-ecule of the title compound, C(14)H(16)N(2)O(2), is located on a crystallographic twofold rotation axis. The central O-C-C-O bridge adopts a gauche conformation. One of the amine H atoms is disordered over two equally occupied positions. The crystal structure is stabilized by N-H⋯O and N-H⋯N hydrogen bonds. ...[more]

PMID: 21202633

Similar Datasets

1,2-Bis(4-meth-oxy-phen-oxy)ethane.

Project description:The whole mol-ecule of the title compound, C16H18O4, is generated by twofold rotational symmetry; the twofold axis bis-ects the central C-C bond. The O-C-C-O torsion angle about the central C-C bond is 69.45?(16)°. Symmetry-related benzene rings are inclined to one another by 64.91?(8)°. In the crystal, mol-ecules are connected by C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3629599 | biostudies-literature

1,2-Bis(4-methyl-phen-oxy)ethane.

Project description:In the title compound, C(16)H(18)O(2), the two aromatic rings are almost orthogonal, making a dihedral angle of 89.41?(2)°. There is a C-H?? contact between the methyl-ene group and the 4-methyl-phenyl ring. The molecule exhibits twofold symmetry..

| S-EPMC3009162 | biostudies-literature

1,2-Bis(2-meth-oxy-6-formyl-phen-oxy)ethane.

Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: 3,3'-dimethoxy-2,2'-(ethane-1,2-diyldioxy)dibenzaldehyde], C(18)H(18)O(6), prepared from 1,2-dibromo-ethane and ortho-vanillin in the presence of sodium carbonate, the two vanillin units are linked via a CH(2)-CH(2) bridge. The two benzene rings are inclined at a dihedral angle of 41.6?(5)°.

| S-EPMC3051670 | biostudies-literature

1,2-Bis(2,4,6-trinitro-phen-yl)ethane.

Project description:The title compound, C(14)H(8)N(6)O(12), is centrosymmetric, the mid-point of the central C-C bond being located on an inversion centre. Two of the three independent nitro groups are disordered over two sites, with a site-occupancy ratio of 0.513?(3):0.487?(3). Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3247438 | biostudies-literature

(E)-1,2-Bis(4-fluoro-phen-yl)ethane-1,2-dione.

Project description:The title compound, C(14)H(8)F(2)O(2), is a substituted benzil with an s-trans conformation of the dicarbonyl unit. This conformation is also shown by the O-C-C-O torsion angle of -110.65?(12)°. An unusual feature of the structure is the length, 1.536?(2)?Å, of the central C-C bond connecting the carbonyl units, which is significantly longer than a normal Csp(2)-Csp(2) single bond. This is probably the result of decreasing the unfavourable vicinal dipole-dipole inter-actions by increasing the distance between the two electronegative O atoms [O?O = 3.1867?(12)?Å] and allowing orbital overlap of the dione with the ? system of the benzene rings. The dihedral angle between the aromatic rings is 64.74?(5)°. In the crystal structure, neighbouring mol-ecules are linked together by weak inter-molecular C-H?O (× 2) hydrogen bonds. In addition, the crystal structure is further stabilized by inter-molecular ?-? inter-actions with centroid-centroid distances in the range 3.6416?(6)-3.7150?(7)?Å.

| S-EPMC2962135 | biostudies-literature

(E)-1,2-Bis(4-methyl-phen-yl)ethane-1,2-dione.

Project description:In the mol-ecule of the title compound, C(16)H(14)O(2), a substituted benzil, the dicarbonyl unit has an s-trans conformation. This conformation is substanti-ated by the O-C-C-O torsion angle of 108.16?(15)°. The dihedral angle between the two aromatic rings is 72.00?(6)°. In the crystal structure, neighbouring mol-ecules are linked together by weak inter-molecular C-H?O hydrogen bonds and weak inter-molecular C-H?? inter-actions. In addition, the crystal structure is further stabilized by inter-molecular ?-? inter-actions with centroid-centroid distances in the range 3.6000?(8)-3.8341?(8)?Å.

| S-EPMC2962226 | biostudies-literature

1,2-Bis{2-[(4-meth-oxy-benzyl-idene)amino]-phen-yl}disulfane.

Project description:The asymmetric unit of the title compound, C28H24N2O2S2, contains one-half mol-ecule, which is completed by twofold rotation symmetry with the twofold axis passing through the mid-point of the central S-S bond. The planes of the two benzene rings linked by the di-sulfide chain form a dihedral angle of 76.1?(1)°, while the planes of the two benzene rings in the benzyl-ideneaniline fragment form a dihedral angle of 48.9?(1)°. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC3685053 | biostudies-literature

1,2-Bis{bis-[4-(trifluoro-meth-yl)phen-yl]phosphino}ethane.

Project description:Crystals of the title compound, C(30)H(20)F(12)P(2) or R(2)PCH(2)CH(2)PR(2) (R = 4-C(6)H(4)CF(3)), were inadvertently prepared while attempting to recrystallize a crude sample of trans-Re(Cl)(N(2))(R(2)PCH(2)CH(2)PR(2))(2) from diethyl ether. The molecule lies on a center of inversion. One of the rings lies approximately in the P-C-C-P plane; the dihedral angle is 174.53°.The other ring is not quite perpendicular; the dihedral angle is 71.1°. The compound is isostructural with the R = Ph, 4-C(6)H(4)CH(3) and 4-C(6)H(4)CH(2)CH(3) analogues. It is well known that the basicity of phosphines and diphosphines can be altered by changing the electron-donating ability of R; however, the structural parameters for the title compound do not significantly differ from those of the aforementioned substituted-phenyl compounds.

| S-EPMC2960220 | biostudies-literature

N,N'-{[Ethane-1,2-diylbis(-oxy)]bis-(ethane-2,1-di-yl)}bis-(4-methyl-benzene-sulfonamide).

Project description:The asymmetric unit of the title compound, C(20)H(28)N(2)O(6)S(2), contains one half-mol-ecule, related to the other half by a twofold rotation axis. The two aromatic rings of the mol-ecule make a dihedral angle of 50.91?(7)°. The O-CH(2)-CH(2)-O and N-CH(2)-CH(2)-O fragments both adopt gauche conformations, with torsion angles of 76.0?(4) and 70.4?(3)°, respectively. In the crystal, adjacent mol-ecules are linked through N-H?O hydrogen bonds into chains along the a-axis direction. The chains are further connected via C-H?O inter-actions into a two-dimensional supra-molecular network in the ac plane.

| S-EPMC3393259 | biostudies-literature

Ethane-1,2-diaminium (R)-2-[4-(1-carboxyl-atoeth-oxy)phen-oxy]acetate.

Project description:In the title compound, C(2)H(10)N(2) (2+)·C(11)H(10)O(6) (2-), the two acetate groups of the cation form dihedral angles of 74.2?(4) and 63.9?(5)° with the central benzene ring. In the crystal, N-H?O hydrogen bonds link the cations and anions into layers parallel to the ab plane.

| S-EPMC3254556 | 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