Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-[(1E,1'E)-2,2'-(2,5-Dibut-oxy-1,4-phenyl-ene)bis-(ethene-2,1-di-yl)]dipyridine.

ABSTRACT: The centrosymmetric title mol-ecule, C(28)H(32)N(2)O(2), has a central benzene ring subsituted in the 1- and 4-positions by (ethene-2,1-di-yl)pyridine groups, and in the 2- and 5-positions by but-oxy groups. The whole mol-ecule is X-shaped and relatively flat, the dihedral angle between the pyridine and the central benzene ring being 11.29?(10)°. In the crystal, neighboring mol-ecules are linked by weak C-H?N inter-actions, forming a two-dimensional undulating network.

SUBMITTER: Zhang RL

PROVIDER: S-EPMC3006845 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2,2'-[(1E,1'E)-2,2'-(2,5-Dibut-oxy-1,4-phenyl-ene)bis-(ethene-2,1-di-yl)]dipyridine.

Zhang Rui-Long RL Liu Zhao-Di ZD Wu Jie-Ying JY

Acta crystallographica. Section E, Structure reports online 20100630 Pt 7

The centrosymmetric title mol-ecule, C(28)H(32)N(2)O(2), has a central benzene ring subsituted in the 1- and 4-positions by (ethene-2,1-di-yl)pyridine groups, and in the 2- and 5-positions by but-oxy groups. The whole mol-ecule is X-shaped and relatively flat, the dihedral angle between the pyridine and the central benzene ring being 11.29 (10)°. In the crystal, neighboring mol-ecules are linked by weak C-H⋯N inter-actions, forming a two-dimensional undulating network. ...[more]

PMID: 21588072

Similar Datasets

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

1,1'-{2,2'-[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(2,1-phenyl-ene)}diethanone.

Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains one half-mol-ecule, the other half being generated by a crystallographic center of inversion. The central benzene ring makes a dihedral angle of 72.49?(5)° with the terminal benzene ring. In the crystal, adjacent mol-ecules are linked through C-H?O inter-actions, forming a sheet structure parallel to the bc plane. The sheets are stacked along the a axis via ?-? inter-actions formed between the terminal benzene rings [centroid-centroid separation = 3.7276?(6)?Å].

| S-EPMC3247415 | biostudies-literature

2,2'-[2,5-Bis(hex-yloxy)-1,4-phenyl-ene]dithio-phene.

Project description:The asymmetric unit of the title compound, C(26)H(34)O(2)S(2), comprises one half-mol-ecule located on an inversion centre. The thio-phene groups are twisted relative to the benzene ring, making a dihedral angle of 5.30?(7)°, and the n-hexyl groups are in a fully extended conformation. In the crystal, there are short C-H?? contacts involving the thio-phene groups.

| S-EPMC3393253 | biostudies-literature

2,2'-(1,4-Phenyl-ene)bis-(propane-2,2-di-yl) bis-(benzodi-thio-ate).

Project description:The title compound, C26H26S4, shows a dihedral angle of 76.64 (15)° between the central and peripheral benzene rings. An inversion center is located at the centroid of the thio-benzoyl ring. In the crystal, weak C-H⋯S inter-actions form C(5) chains along [001]. There are no classical hydrogen bonds.

| S-EPMC3998285 | biostudies-literature

(1E,3E,5E,7E)-4,4'-(Octa-1,3,5,7-tetra-ene-1,8-di-yl)dipyridine.

Project description:The title compound, C(18)H(16)N(2), crystallizes with one and a half independent mol-ecules in the asymmetric unit, with the half-mol-ecule being completed by crystallographic inversion symmetry. Both independent mol-ecules are almost planar, with the non-H atoms exhibiting r.m.s. deviations from the least-squares mol-ecular plane of 0.175 and 0.118 Å, respectively.

| S-EPMC2983498 | biostudies-literature

2,2'-Diazinodimethylidyne)di-o-phenyl-ene) dibenzoate.

Project description:The title compound, C(28)H(20)N(2)O(4), was synthesized by the reaction of 2-(hydrazonometh-yl)phenyl benzoate with iodine. The mol-ecule possesses a crystallographically imposed center of symmetry at the mid-point of the hydrazine N-N bond. The substituents at the ends of the C=N bonds adopt an E,E configuration. Inter-molecular C-H⋯π(arene) hydrogen bonds and aromatic π-π stacking inter-actions [centroid-centroid distance 3.900 (1) Å] link the mol-ecules into (100) sheets. In addition, there is an inter-molecular C-H⋯O hydrogen-bond inter-action.

| S-EPMC2961147 | biostudies-literature

Propane-2,2-diyl di-p-phenyl-ene dibenzoate.

Project description:The V-shaped propeller-like mol-ecule of the title compound, C(29)H(24)O(4), does not exhibit crystallographic twofold symmetry as the two benzene rings are twisted asymmetrically with respect to both the central propyl plane and the benzo-yloxy groups [4.6 (2), 43.6 (2)° and 45.07 (8), 69.50 (8)°]. In the crystal structure, centrosymmetrically related mol-ecules form a dimer through C-H⋯π inter-molecular inter-actions.

| S-EPMC2915318 | biostudies-literature

Crystal structure of diethyl 3,3'-{2,2'-(1E)-[1,4-phenyl-enebis(azan-1-yl-1-yl-idene)]bis-(methan-1-yl-1-yl-idene)bis-(1H-pyrrole-2,1-di-yl)}di-propano-ate.

Project description:The complete mol-ecule of the title compound, C26H30N4O4, is generated by crystallographic inversion symmetry. The dihedral angle between the planes of the benzene and pyrrole rings is 45.20 (11)°; the N atom bonded to the the benzene ring and the pyrrole N atom are in a syn conformation. The side chain adopts an extended conformation [N-C-C-C = 169.07 (17)° and C-O-C-C = -176.54 (17)°]. No directional inter-actions could be identified in the crystal packing.

| S-EPMC4438852 | biostudies-literature

Chlorido[2,2'-(oxydimethyl-ene)-dipyridine]copper(II) perchlorate-aqua-chlorido[2,2'-(oxydimethyl-ene)-dipyridine]copper(II) perchlorate (1/1).

Project description:The asymmetric unit of the title compound, [CuCl(C(12)H(12)N(2)O)][CuCl(C(12)H(12)N(2)O)(H(2)O)](ClO(4))(2), contains two different discrete cations. In one cation, the Cu(II) ion is coordinated in a slightly distorted square-planar geometry, while in the other the Cu(II) ion is in a slightly distorted square-pyramidal environment. In the crystal structure, there are O-H?O hydrogen bonds between coordinated water mol-ecules and perchlorate anions. Both types of cations are linked into one-dimensional chains along the b axis by weak electrostatic Cu?Cl inter-actions, with Cu?Cl distances of 2.8088?(16) and 3.2074?(17)?Å.

| S-EPMC2977150 | biostudies-literature

Dimethyl 2,2'-({2,2'-methyl-enebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethyl-pentan-2-yl)-2,1-phenyl-ene]}di-oxy)diacetate.

Project description:The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent mol-ecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The mol-ecule is a di(ar-yl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the mol-ecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3 (2)° at the methyl-ene carbon; one aryl ring is aligned at 42.0 (1)° with respect to the N-heterocyclic substituent and the other at 48.7 (1)° with respect to its substituent. The two ordered mol-ecules are disposed about a pseudo center of inversion. The pairs of twist angles in these two mol-ecules differ [52.7 (1) and 61.7 (1)°, and 29.1 (1) and 58.5 (1)°].

| S-EPMC3052126 | 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