Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,2-Di-2-pyridylethyl-ene-phenyl-succinic acid (1/1).

ABSTRACT: In the title 1:1 adduct, C(10)H(10)O(4)·C(12)H(10)N(2), the two components are linked by O-H⋯N hydrogen bonds to form a one-dimensional chain. The dihedral angle between the pyridine rings is 15.68 (8)° These chains are further inter-connected by weak inter-molecular C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions to generate a three-dimensional network.

SUBMITTER: Huang QZ

PROVIDER: S-EPMC2968091 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

4,4'-{[1,2-Phenyl-enebis(methyl-ene)]bis-(-oxy)}di-benzoic acid di-methyl-formamide disolvate.

Project description:In the title solvate, C22H18O6·2C3H7NO, the complete dicarboxylic acid molecule is generated by a crystallographic twofold axis, which bisects the central benzene ring and one N,N-di-methyl-formamide solvent mol-ecule. The dihedral angle between the central and pendant benzene rings is 54.53?(5)° while that between the pendant rings is 45.44?(5)°. In the crystal, the acid molecules are linked to the solvent molecules via O-H?O and weak C-H?O hydrogen bonds. Further weak C-H?O inter-actions link adjacent acid mol-ecules into a three-dimensional network.

| S-EPMC4011299 | biostudies-literature

6,6'-Di-tert-butyl-2,2'-[1,2-phenyl-ene-bis(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title Schiff base compound, C(28)H(32)N(2)O(2), has a twisted geometry, the dihedral angles between the central benzene ring and the other two benzene rings being 29.12?(14) and 26.01?(14)°. Four intra-molecular C-H?O hydrogen bonds and two intra-molecular O-H?N hydrogen bonds stabilize the mol-ecular structure. In the crystal packing, mol-ecules are stacked along the a axis and stabilized by ?-? inter-actions [centroid-centroid distance = 3.6724?(17)?Å]. The crystal studied was found to be a non-merohedral twin, the refined ratio of twin components being 0.374?(5):0.626?(5).

| S-EPMC2972107 | 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

(E)-2-(Cyclo-hexyl-methyl-ene)succinic acid.

Project description:The title compound, C(11)H(16)O(4), crystallizes with three molecules in the asymmetric unit. The cyclo-hexane ring adopts a chair conformation. Inter-molecular O-H?O hydrogen bonds are observed and these help to establish the crystal packing.

| S-EPMC2915377 | biostudies-literature

{N,N'-[2,2'-(Ethane-1,2-diyldisulfanediyl)di-o-phenyl-ene]bis-(quinoline-2-carboxamidato)}copper(II).

Project description:In the title compound, [Cu(C(34)H(24)N(4)O(2)S(2))] or [Cu(bqdapte)], where H(2)bqdapte is 1,2-{bis-[2-(quinoline-2-carboxamido)-phen-yl]sulfan-yl}ethane, the Cu(II) ion is coordinated to the dianionic hexa-dentate bqdapte(2-) ligand by two amide and two quinoline N atoms and two thio-ether S atoms. In the observed conformation of the hexa-dentate ligand, the quinoline rings attain positions related by a twofold axis. The Cu atom displays a Jahn-Teller-distorted octa-hedral CuN(4)S(2) geometry axially compressed along the two trans-configured Cu-N(amidate) bonds.

| S-EPMC3120416 | 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??(arene) hydrogen bonds and aromatic ?-? 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

5-Cyano-1,3-phenyl-ene di-acetate.

Project description:In the title mol-ecule, C11H9NO4, the two acet-oxy groups are twisted from the plane of the benzene ring by 67.89?(4) and 53.30?(5)°. Both carbonyl groups are on the same side of the aromatic ring. In the crystal, weak C-H?O hydrogen bonds link mol-ecules into layers parallel to the ac plane. The crystal packing exhibits ?-? inter-actions between the aromatic rings, indicated by a short inter-centroid distance of 3.767?(3)?Å.

| S-EPMC4051073 | biostudies-literature

Crystal structure of a compact three-dimensional metal-organic framework based on Cs+ and (4,5-di-cyano-1,2-phenyl-ene)bis-(phospho-nic acid).

Project description:A new metal-organic framework compound, poly[[?7-dihydrogen (4,5-di-cyano-1,2-phenyl-ene)diphospho-nato]-(oxonium)caesium], [Cs(C8H4N2O6P2)(H3O)] n (I), based on Cs+ and the organic linker 4,5-di-cyano-1,2-phenyl-ene)bis-(phospho-nic acid, (H4cpp), containing two distinct coordinating functional groups, has been prepared by a simple diffusion method and its crystal structure is reported. The coordination polymeric structure is based on a CsO8N2 complex unit comprising a monodentate hydro-nium cation, seven O-atom donors from two phospho-nium groups of the (H2cpp)2- ligand, and two N-atom donors from bridging cyano groups. The high level of connectivity from both the metal cation and the organic linker allow the formation of a compact and dense three-dimensional network without any crystallization solvent. Topologically (I) is a seven-connected uninodal network with an overall Schäfli symbol of {417.64}. Metal cations form an undulating inorganic layer, which is linked by strong and highly directional O-H?O hydrogen-bonding inter-actions. These metallic layers are, in turn, connected by the organic ligands along the [010] direction to form the overall three-dimensional framework structure.

| S-EPMC5137611 | biostudies-literature

5,5'-(p-Phenyl-ene)di-1H-tetra-zole.

Project description:Crystals of the title organic compound, C(8)H(6)N(8), were generated in situ through the [2 + 3]-cyclo-addition reaction involving the precursor 1,4-dicyano-benzene and azide in water with Zn(2+) as Lewis acid. The asymmetric unit consists of one half-mol-ecule, and a twofold axis of symmetry passes through the centre of the benzene ring. There is an inter-molecular N-H?N hydrogen bond. The mol-ecules are assembled into a three-dimensional supra-molecular framework by ?-? stacking inter-actions, with a perpendicular distance of 3.256?Å [centroid-centroid = 3.9731?(8)?Å] between two tetra-zole ring planes, and 3.382?Å between the benz-ene ring and tetra-zole ring planes [centroid-centroid = 3.5010?(9)?Å].

| S-EPMC2919293 | 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?? inter-molecular inter-actions.

| S-EPMC2915318 | 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