Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[di-?(4)-4,4'-oxydiphthalato-tetrakis[?(2)-1,1'-(p-phenyl-enedimethyl-ene)di-1H-imidazole]tetra-copper(II)] monohydrate].

ABSTRACT: In the title compound, {[Cu(4)(C(16)H(6)O(9))(2)(C(14)H(14)N(4))(4)]·H(2)O}(n), the water mol-ecule is disordered over two positions; site-occupancy factors were fixed at 0.25. The Cu(II) atom exhibits a square-planar coordination geometry with two O atoms of the two 4,4'-oxydiphthalate ligands and two N atoms of the two 1,4-bis-(imidazol-1-ylmeth-yl)benzene groups. A three-dimensional honeycomb framework structure is formed. Aromatic ?-? stacking inter-actions are observed, with a centroid-centroid distance of 3.373?(5)?Å.

SUBMITTER: Zhang W

PROVIDER: S-EPMC2915105 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[di-μ(4)-4,4'-oxydiphthalato-tetrakis[μ(2)-1,1'-(p-phenyl-enedimethyl-ene)di-1H-imidazole]tetra-copper(II)] monohydrate].

Zhang Wu W Yao Li L Tao Ruojie R

Acta crystallographica. Section E, Structure reports online 20071212 Pt 1

In the title compound, {[Cu(4)(C(16)H(6)O(9))(2)(C(14)H(14)N(4))(4)]·H(2)O}(n), the water mol-ecule is disordered over two positions; site-occupancy factors were fixed at 0.25. The Cu(II) atom exhibits a square-planar coordination geometry with two O atoms of the two 4,4'-oxydiphthalate ligands and two N atoms of the two 1,4-bis-(imidazol-1-ylmeth-yl)benzene groups. A three-dimensional honeycomb framework structure is formed. Aromatic π-π stacking inter-actions are observed, with a centroid-cent ...[more]

PMID: 21200517

Similar Datasets

4,4'-Dimethyl-1,1'-(p-phenyl-enedimethyl-ene)dipyridinium bis-[7,7,8,8-tetra-cyano-quinodimethanide(1-)].

Project description:In the title salt, C(20)H(22)N(2) (2+)·2C(12)H(4)N(4) (-), the cations and anions stack along the b axis into segregated columns. In the cation, which has a crystallographically imposed centre of symmetry, the dihedral angle between the benzene and pyridine rings is 89.14?(4)°. Centrosymmetrically related anions form dimers by ?-? stacking inter-actions, with centroid-centroid separations of 3.874?(4)?Å. The crystal packing is stabilized by inter-columnar C-H?N hydrogen bonds.

| S-EPMC2979426 | biostudies-literature

1,1'-[(Biphenyl-4,4'-di-yl)bis-(methyl-ene)]di-1H-imidazol-3-ium tetra-chlorido-mercurate(II).

Project description:In the title compound, (C(20)H(20)N(4))[HgCl(4)], the Hg(II) ion is four-coordinated in a tetra-hedral environment defined by four chloride ions. The dihedral angle between the two phenyl rings is 32.83?(15)°. The protonated 1,1'-[(biphenyl-4,4'-di-yl)bis-(meth-yl-ene)]di-1H-imidazol-3-ium cations, showing a cis conformation, link the [HgCl(4)](2-) anions into an R(4) (4)(42) motif via N-H?Cl hydrogen bonds.

| S-EPMC3238662 | biostudies-literature

1,1',2,2'-Tetra-methyl-3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium bis-(tetra-fluoridoborate).

Project description:The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2BF(4) (-), has the cation lying about a center of inversion. The five-membered imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 86.9?(1)°]. The tetra-fluoro-borate anion is disordered over two sites in a 0.722?(3):0.278?(3) ratio.

| S-EPMC2977162 | biostudies-literature

catena-Poly[[[aqua-chlorido-manganese(II)]-bis-[μ-1,1'-(oxydi-p-phenyl-ene)di-1H-imidazole-κN:N]] chloride dimethyl-formamide mono-solvate monohydrate].

Project description:The title coordination polymer, {[MnCl(C(18)H(14)N(4)O)(2)(H(2)O)]Cl·C(3)H(7)NO·H(2)O}(n), obtained by the solvothermal reaction of BIDPE and manganese(II) salt in H(2)O/DMF (DMF is dimethyl-formamide), is composed of a chain of [Mn(2)(BIDPE)(2)] [BIDPE is 1,1'-(oxydi-p-phenyl-ene)di-1H-imidazole] metallocyclic rings that exhibit inversion symmetry. The coordination about the Mn(II) ions is distorted octahedral with a MnClN(4)O coordination set. In the crystal, the polymeric chains are linked by O-H⋯Cl hydrogen bonds, forming a two-dimensional network parallel to (100). A number of C-H⋯Cl and C-H⋯O inter-actions are also present.

| S-EPMC3051568 | biostudies-literature

1,1',2,2'-Tetra-methyl-3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium dibromide.

Project description:The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2Br(-), has the cation lying about a center of inversion. The five-membered imidazole ring is disordered over two positions with the major component having a site occupancy of 0.712?(4); the N-bound methyl substituents are ordered. The imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 80.7?(5)° for the major disorder component and 89.8?(3)° for the other; the two components are off-set by 10.1?(6)°].

| S-EPMC2977381 | biostudies-literature

4,4'-(Cyclo-hexane-1,1-di-yl)dianilinium dichloride monohydrate.

Project description:In the title compound, C(18)H(24)N(2) (2+)·2Cl(-)·H(2)O, both the cation and the water mol-ecule lie on a twofold crystallographic axis. In the cation, the two benzene rings are perpendicular to each other, making a symmetry-constrained dihedral angle of 90°. In the crystal, N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds result in the formation of a three-dimensional network.

| S-EPMC3200667 | biostudies-literature

Poly[[[?-3,3'-(dimethyl-silanedi-yl)dibenzoato][?-1,1'-(1,4-phenyl-ene)di-1H-imidazole]-zinc] monohydrate].

Project description:The asymmetric unit of the title compound, {[Zn(C??H??O?Si)(C??H??N?)]·H(2)O}(n), consists of one Zn(II) ion, two half 3,3'-(dimethyl-silanedi-yl)dibenzoate ligands and two half 1,1'-(1,4-phenyl-ene)di-1H-imidazole ligands. The Zn(II) ion is four-coordinated by two O atoms from two carboxlate ligands, two N atoms from two imidazole ligands. Two Zn(II) ions are bridged by two carboxyl-ate groups in chelating mode, generating a binuclear secondary building unit (SBU), which is further coordinated by two N atoms from two imidazole ligands in monodentate mode. Thus, the binuclear SBUs are further bridged by imidazole ligands in two different directions, giving rise to a chain. The water solvent mol-ecules are hydrogen bonded within the chain along the c axis.

| S-EPMC3393147 | biostudies-other

catena-Poly[[[aqua-silver(I)]-μ-1,1'-(butane-1,4-di-yl)di-1H-imidazole-κN:N] hemi(biphenyl-4,4'-dicarboxyl-ate) dihydrate].

Project description:In the title compound, {[Ag(C(10)H(14)N(4))(H(2)O)](C(14)H(8)O(4))(0.5)·2H(2)O}(n), the Ag(I) ion is three-coordinated by two N atoms from two independent 1,1'-(butane-1,4-di-yl)di-1H-imidazole (BBI) ligands and one water O atom in a distorted T-shaped coordination geometry. The biphenyl-4,4'-dicarboxyl-ate (BPDC) dianions do not coordinate to Ag(I) ions but act as counter-ions. The Ag(I) ions are linked by BBI ligands, forming a zigzag chain. These chains are linked into a two-dimensional supra-molecular architecture by O-H⋯O hydrogen-bonding inter-actions between water mol-ecules and carboxyl-ate O atoms of the BPDC dianions.

| S-EPMC2971936 | biostudies-literature

1,1',2,2'-Tetra-methyl-3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium bis-(hexa-fluoridophosphate).

Project description:The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2PF(6) (-), has the cation lying about a center of inversion. The five-membered imidazole ring is disordered over two positions (the methyl substituents are ordered). This imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 81.3?(8)° for one disorder component and 83.8?(8)° for the other; the two components are off-set by 2.7?(8)°]. The crystal is a non-merohedral twin with a twin component of 23%.

| S-EPMC2977199 | biostudies-literature

1,1'-(p-Phenyl-enedimethyl-ene)dipiperidin-4-one.

Project description:In the mol-ecule of the title compound, C(18)H(24)N(2)O(2), the piperidine rings are in chair conformations. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonding. There are neither C-H?? nor ?-? inter-actions in the structure.

| S-EPMC2980215 | 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