Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,4-Bis(imidazol-1-yl)benzene-terephthalic acid (1/1).

ABSTRACT: In the title compound, C(12)H(10)N(4)·C(8)H(6)O(4), 1,4-bis-(imidazol-1-yl)benzene and terephthalic acid mol-ecules are joined via strong O-H⋯N hydrogen bonds to form infinite zigzag chains. Both mol-ecules are located on crystallographic inversion centers. The O-H⋯N hydrogen-bonded chains are assembled into two-dimensional layers through weak C-H⋯O and strong π-π stacking inter-actions [centroid-centroid distance = 3.818 (2) Å], leading to the formation of a three-dimensional supra-molecular structure.

SUBMITTER: Zhang S

PROVIDER: S-EPMC2967945 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,4-Bis(imidazol-1-yl)benzene-terephthalic acid (1/1).

Zhang Shiyong S Tang Yurong Y Mao Zhihua Z Li Mingliang M Lan Jingbo J Su Xiaoyu X

Acta crystallographica. Section E, Structure reports online 20081206 Pt 1

In the title compound, C(12)H(10)N(4)·C(8)H(6)O(4), 1,4-bis-(imidazol-1-yl)benzene and terephthalic acid mol-ecules are joined via strong O-H⋯N hydrogen bonds to form infinite zigzag chains. Both mol-ecules are located on crystallographic inversion centers. The O-H⋯N hydrogen-bonded chains are assembled into two-dimensional layers through weak C-H⋯O and strong π-π stacking inter-actions [centroid-centroid distance = 3.818 (2) Å], leading to the formation of a three-dimensional supra-molecular st ...[more]

PMID: 21581669

Similar Datasets

1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene-terephthalic acid-water (1/1/4).

Project description:The asymmetric unit of the title compound, C(12)H(14)N(4)·C(8)H(6)O(4)·4H(2)O, consists of one half of the 1,4-bis-(4,5-dihydro-1H-imidazol-2-yl)benzene (bib) mol-ecule, one half of the terephthalic acid (TA) mol-ecule and two water mol-ecules. Both the bib and the TA mol-ecules reside on crystallographic inversion centers, which coincide with the centroids of the respective benzene rings. The bib and the TA, together with the water mol-ecules, are linked through inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, forming a three-dimensional network of stacked layers. Weak inter-molecular C-H⋯O contacts support the stability of the crystal structure.

| S-EPMC2971323 | biostudies-literature

Poly[bis-[μ-1,4-bis-(imidazol-1-ylmeth-yl)benzene]-dichloridomanganese(II)].

Project description:In the crystal structure of the title compound, [MnCl(2)(C(14)H(14)N(4))(2)](n), the Mn(II) atom, lying on an inversion center, is coordinated by four N atoms from four 1,4-bis-(imidazol-1-ylmeth-yl)benzene (bimb) ligands and two Cl(-) anions in a distorted octa-hedral geometry. The bimb ligands bridge the Mn(II) atoms, forming a two-dimensional polymeric complex, which is composed of a 52-membered [Mn(4)(bimb)(4)] ring with distances of 7.7812 (2) and 27.4731 (9) Å between opposite metal atoms. Weak C-H⋯π inter-actions are present in the crystal structure.

| S-EPMC3212256 | biostudies-literature

Poly[bis-[μ-1,4-bis-(imidazol-1-ylmeth-yl)benzene]dichloridocadmium(II)].

Project description:The title compound, [CdCl(2)(C(14)H(14)N(4))(2)](n), has a slightly distorted octa-hedral coordination geometry, formed by four N atoms from 1,4-bis-(imidazol-1-ylmeth-yl)benzene ligands and two Cl atoms, giving a two-dimensional network. The Cd atom lies on a centre of inversion.

| S-EPMC2961887 | biostudies-literature

Poly[[[silver(I)-μ-1,4-bis-[(imidazol-1-yl)meth-yl]benzene-κN:N-silver(I)-μ-1,4-bis-[(imidazol-1-yl)meth-yl]benzene-κN:N] 4,4'-diazenediyldibenzoate] dihydrate].

Project description:In the title compound, [Ag(2)(C(14)H(14)N(4))(2)](C(14)H(8)N(2)O(4))·2H(2)O, each of the two unique Ag(+) ions is two-coordinated by two N atoms from two different 1,4-bis-[(imidazol-1-yl)meth-yl]benzene ligands in an almost linear fashion [N-Ag-N = 170.34 (10) and 160.25 (10)°]. The 4,4'-diazenediyldibenzoate anions do not coordinate to Ag. O-H⋯O hydrogen bonds stabilize the crystal structure.

| S-EPMC3100071 | biostudies-literature

catena-Poly[[diformatocopper(II)]-μ-1,4-bis-(imidazol-1-yl)benzene].

Project description:In the title compound, [Cu(CHO(2))(2)(C(12)H(10)N(4))], the Cu(II) ion lies on an inversion center and is coordinated by two formate O atoms and two N atoms from two 1,4-bis-(imidazol-1-yl)phenyl ligands (L), forming a square-planar coordination environment. The linear mol-ecule L acts as a bidente bridging ligand, connecting the metal atoms into a chain along [101].

| S-EPMC3151804 | biostudies-literature

1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene-4-amino-benzene-sulfonic acid-water (1/2/2).

Project description:The asymmetric unit of the title compound, C(12)H(14)N(4)·2C(6)H(7)NO(3)S·2H(2)O, contains one half of a centrosymmetric 1,4-bis-(4,5-dihydro-1H-imidazol-2-yl)benzene (bib) molecule, one 4-amino-benzene-sulfonic acid molecule and one water mol-ecule. In the bib molecule, the imidazole ring adopts an envelope conformation. The benzene rings of bib and 4-aminobenzenesulfonic acid are oriented at a dihedral angle of 21.89 (4)°. In the crystal structure, inter-molecular N-H⋯O, O-H⋯N and O-H⋯O inter-actions link the mol-ecules into a three-dimensional network. Weak π-π contacts between the benzene and imidazole rings and between the benzene rings [centroid-centroid distances = 3.895 (1) and 3.833 (1) Å, respectively] may further stabilize the structure.

| S-EPMC2969902 | biostudies-literature

Poly[[?-1,4-bis-(imidazol-1-ylmeth-yl)benzene]bis-(?(4)-cyclo-hexane-1,4-dicarboxyl-ato)dinickel(II)].

Project description:The structure of the polymeric title compound, [Ni(2)(C(8)H(10)O(4))(2)(C(14)H(14)N(4))](n), features a five-coordinate Ni(II) centre defined by four carboxyl-ate O atoms from two different cyclo-hexane-1,4-dicarboxyl-ate (chdc) ligands and an N atom from one end of a 1,4-bis-(imidazol-1-ylmeth-yl)benzene (1,4-bix) mol-ecule. The NO(4) coordination geometry is distorted square-pyramidal with the N atom in the apical position. Each end of the chdc ligand links pairs of Ni(II) atoms into a paddle-wheel assembly, i.e. Ni(2)(O(2)CR')(4). These are connected into rows owing to the bridging nature of the chdc ligands, and the rows are connected into a two-dimensional grid via the 1,4-bix ligands. The 1,4-bix ligand, which is disposed about a centre of inversion, is disorderd. Two positions of equal occupancy were discerned for the -H(2)C(C(6)H(4))CH(2)- residue.

| S-EPMC2977293 | biostudies-literature

Poly[bis-[μ-1,4-bis-(1H-imidazol-5-yl)benzene-κN:N]diformatomanganese(II)].

Project description:In the title compound, [Mn(CHO(2))(2)(C(12)H(10)N(4))(2)](n), the Mn(II) atom and the benzene ring of the ligand lie on an inversion centers. The Mn(II) atom has an octa-hedral coordination environment composed of four N atoms from two different symmetry-related N-heterocyclic ligands forming the basal plane, and two O atoms from symmetry-related formate anions occupying the apical positions. The title compound forms a two-dimensional (4,4) net parallel to (100) with all the Mn(II) atoms lying on a plane. The crystal structure is consolidated by inter-molecular N-H⋯O hydrogen bonds..

| S-EPMC3011459 | biostudies-literature

Poly[zinc(II)-[?-1,4-bis-(imidazol-1-yl-methyl)benzene]-?-4,4'-oxydibenzoato].

Project description:In the title compound, [Zn(C(14)H(8)O(5))(C(14)H(14)N(4))](n), the coordination polyhedron around each Zn(II) atom is a distorted tetra-hedron. The ligands bridge the Zn atoms to form a two-dimensional (4,4)-network.

| S-EPMC2960729 | biostudies-literature

catena-Poly[[dichloridozinc(II)]-μ-1,4-bis-(1H-imidazol-1-yl)benzene].

Project description:In the title one-dimensional coordination polymer, [ZnCl(2)(C(12)H(10)N(4))](n), the Zn(II) atom (site symmetry 2) is coordinated by two chloride ions and two 1,4-bis-(imidazol-1-yl)benzene ligands, generating a distorted tetra-hedral ZnCl(2)N(2) geometry for the metal ion. The bridging ligand, which is completed by crystallographic inversion symmetry, links the Zn(II) atoms into zigzag chains propagating in [101]. Within the ligand, the dihedral angle between the central benzene ring and terminal imidazole ring is 27.82 (13)°.

| S-EPMC3011715 | 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