Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,4-Bis(4-chloro-phenyl-seleno)-2,5-di-methoxy-benzene.

ABSTRACT: The title compound, C(20)H(16)Cl(2)O(2)Se(2), utilizes the symmetry of the crystallographic inversion center. Mol-ecular chains are formed through symmetric C-H⋯Cl inter-actions around inversion centers, mimicking the commonly observed symmetric hydrogen-bonded dimer pattern often found in carboxylic acids.

SUBMITTER: Sorensen HO

PROVIDER: S-EPMC2967934 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N,N'-Bis(di-phenyl-meth-yl)benzene-1,4-di-amine.

Project description:The complete mol-ecule of the title compound, C32H28N2, is generated by crystallographic inversion symmetry. The dihedral angles between the central aromatic ring and the pendant adjacent rings are 61.37 (16) and 74.20 (14)°. The N-H group does not participate in hydrogen bonds and there are no aromatic π-π stacking inter-actions in the crystal.

| S-EPMC3914097 | biostudies-literature

1,4-Di-bromo-2,5-di-p-toluoyl-benzene.

Project description:In the title compound, C22H16Br2O2, which has approximate non-crystallographic inversion symmetry, the dihedral angles between the central ring and the pendant rings are 89.1?(4) and 82.4?(3)°; the dihedral angle between the pendant rings is 12.1?(4)°. In the crystal, the packing is influenced by van der Waals forces and no aromatic ?-? stacking is observed.

| S-EPMC3884439 | biostudies-literature

Crystal structures of 2,5-di-azido-1,4-phenyl-ene di-acetate and 2,5-di-azido-1,4-phenyl-ene dibutyrate.

Project description:The asymmetric units of the title compounds, C10H8N6O4, (I), and C14H16N6O4, (II), each contain half of the respective mol-ecule which is completed by inversion symmetry. The two molecules differ in the ester moiety (acetate versus butyrate) and the crystal symmetry is different, i.e. triclinic for (I) and monoclinic for (II). The di-azido-phenyl-ene moieties are essentially planar [maximum deviation of 0.0216?(7)?Å for (I) and 0.0330?(14)?Å for (II)], and the ester functionalities are almost perpendicular to these planes, making dihedral angles of 79.93?(3)° for (I) and 79.42?(6)° for (II). In the crystals of both (I) and (II), there are no significant inter-molecular inter-actions present.

| S-EPMC4120540 | biostudies-literature

1,4-Bis(dimethyl-silyl)-2,5-diphenyl-benzene.

Project description:The mol-ecule of the title compound, C(22)H(26)Si(2), is centrosymmetric. The dihedral angle between the central benzene ring and its phenyl substituents is 67.7?(2)°. The crystal packing is stabilized by van der Waals forces.

| S-EPMC2983822 | biostudies-literature

1,4-Bis(hex-yloxy)-2,5-diiodo-benzene.

Project description:The centrosymmetric title compound, C(18)H(28)I(2)O(2), crystallized in the monoclinic space group P2(1)/c with the alkyl chains having extended all-trans conformations, similar to those in the centrosymmetric bromo analogue [Li et al. (2008 ▶). Acta Cryst. E64, o1930] that crystallized in the triclinic space group P. The difference between the two structures lies in the orientation of the two alkyl chains with respect to the C(aromatic)-O bond. In the title compound, the O-C(alk-yl)-C(alk-yl)-C(alk-yl) torsion angle is 55.8 (5)°, while in the bromo analogue this angle is -179.1 (2)°. In the title compound, the C-atoms of the alkyl chain are almost coplanar [maximum deviation of 0.052 (5) Å] and this mean plane is inclined to the benzene ring by 50.3 (3)°. In the bromo-analogue, these two mean planes are almost coplanar, making a dihedral angle of 4.1 (2)°. Another difference between the crystal structures of the two compounds is that in the title compound there are no halide⋯halide inter-actions. Instead, symmetry-related mol-ecules are linked via C-H⋯π contacts, forming a two-dimensional network.

| S-EPMC2983920 | biostudies-literature

1,4-Dibromo-2,5-bis-(hex-yloxy)benzene.

Project description:In the centrosymmetric title compound, C(18)H(28)Br(2)O(2), the alkyl chains adopt a fully extended all-trans conformation and each of them is almost planar. In addition, the alkyl chains are coplanar with the benzene ring. Inter-molecular Br⋯Br inter-actions [3.410 (3) Å] are present, resulting in a one-dimensional supra-molecular architecture.

| S-EPMC2959468 | biostudies-literature

1,4-Di-n-hept-yloxy-2,5-dinitro-benzene.

Project description:The complete molecule of the title compound, C(20)H(32)N(2)O(6), is generated by crystallographic inversion symmetry. The two mutually trans nitro substituents are hence in fully eclipsed conformation and also twisted by 43.2?(2)° with respect to the phenyl ring plane. The benzene-connected portions of the alk-oxy substituents lie almost coplanar with the ring [C-O-C-C torsion angle = 2.0?(2)°]. In the crystal, weak C-H?O interactions link the molecules.

| S-EPMC2980120 | biostudies-literature

2-Chloro-benzene-1,4-diaminium bis-(dihydrogenphosphate).

Project description:The asymmetric unit of the title salt, C(6)H(9)ClN(2) (2+)·2H(2)PO(4) (-), contains two dihydrogenphosphate anions and one 2-chloro-benzene-1,4-diaminium dication. The H(2)PO(4) (-) anions are inter-connected through strong O-H?O hydrogen bonds to form two-dimensional infinite layers parallel to (001). The organic entities are anchored to the inorganic layers through N-H?O hydrogen bonds, and through weak C-Cl?O halogen bonds [3.159?(2)?Å, 140.48?(7)°]. No ?-? stacking inter-actions between neighboring aromatic rings or C-H?? inter-actions towards them are observed. Minor disorder is observed for the Cl atom and one hy-droxy group [minor-component occupancy = 3.29?(9)%].

| S-EPMC3569226 | biostudies-literature

1,4-Bis(3-chloro-prop-oxy)benzene.

Project description:The mol-ecule of the title compound, C(12)H(16)Cl(2)O(2), has a center of inversion at the centroid of the benzene ring and the asymmetric unit contains one half-mol-ecule. Inter-molecular C-H?? inter-actions stabilize the crystal structure.

| S-EPMC3050300 | biostudies-literature

Crystal structure of (μ-1,4-di-carb-oxy-butane-1,4-di-carboxyl-ato)bis-[bis-(tri-phenyl-phosphane)silver(I)] di-chloro-methane tris-olvate.

Project description:The mol-ecular structure of the tetra-kis(tri-phenyl-phosphan-yl)disilver salt of butane-1,1,4,4-tetra-carb-oxy-lic acid, [Ag2(C8H8O8)(C18H15P)4]·3CH2Cl2, crystallizes with one and a half mol-ecules of di-chloro-methane in the asymmetric unit. The coordination complex exhibits an inversion centre through the central CH2-CH2 bond. The Ag(I) atom has a distorted trigonal-planar P2O coordination environment. The packing is characterized by inter-molecular T-shaped π-π inter-actions between the phenyl rings of the PPh3 substituents in neighbouring mol-ecules, forming a ladder-type superstructure parallel to [010]. These ladders are arranged in layers parallel to (101). Intra-molecular hydrogen bonds between the OH group and one O atom of the Ag-bonded carboxyl-ate group results in an asymmetric bidendate coordination of the carboxyl-ate moiety to the Ag(I) ion.

| S-EPMC4770955 | 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