Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4'-Bipyridine-2-meth-oxy-benzoic acid (1/2).

ABSTRACT: The asymmetric unit of the title compound, C(10)H(8)N(2)·2C(8)H(8)O(3), contains two 2-meth-oxy-benzoic acid mol-ecules and one 4,4'-bipyridine mol-ecule. The 4,4'-bipyridine mol-ecule is disordered over two positions in a 1:1 ratio. In the crystal, the 2-meth-oxy-benzoic acid and 4,4'-bipyridine mol-ecules are connected by inter-molecular O-H?N hydrogen bonds. The dihedral angle between the carboxy group and its attached ring is 26.823?(2)°.

SUBMITTER: Qian XY

PROVIDER: S-EPMC3297321 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,4'-Bipyridine-2-meth-oxy-benzoic acid (1/2).

Qian Xiao-Yan XY Liu Feng-Zhi FZ

Acta crystallographica. Section E, Structure reports online 20120204 Pt 3

The asymmetric unit of the title compound, C(10)H(8)N(2)·2C(8)H(8)O(3), contains two 2-meth-oxy-benzoic acid mol-ecules and one 4,4'-bipyridine mol-ecule. The 4,4'-bipyridine mol-ecule is disordered over two positions in a 1:1 ratio. In the crystal, the 2-meth-oxy-benzoic acid and 4,4'-bipyridine mol-ecules are connected by inter-molecular O-H⋯N hydrogen bonds. The dihedral angle between the carboxy group and its attached ring is 26.823 (2)°. ...[more]

PMID: 22412511

Similar Datasets

3-Amino-benzoic acid-4,4'-bipyridine (2/3).

Project description:The asymmetric unit of the title compound, 3C(10)H(8)N(2)·2C(7)H(7)NO(2), consists of three mol-ecules of 4,4'-bipyridine (bpy) and two mol-ecules of 3-amino-benzoic acid (bza). Two mol-ecules of bza and two mol-ecules of bpy are connected via O-H?N, N-H?N and N-H?O hydrogen bonds, forming forming infinite double-stranded zigzag chains along the c axis. The third mol-ecule of bpy is linked to the chain by weak C-H?O inter-actions. Adjacent chains are linked via ?-? inter-actions [centroid-centroid distances = 3.759?(3)-3.928?(3)?Å] involving the pyridine rings of bpy mol-ecules, resulting in a sheet-like structure parallel to (100). These sheets are stacked via C-H?? inter-actions, resulting finally in the formation of a three-dimensional supra-molecular structure.

| S-EPMC3415010 | biostudies-literature

4,4'-Bipyridine-3-nitro-benzoic acid (1/2).

Project description:The title compound, C(10)H(8)N(2)·2C(7)H(5)NO(4),was obtained unintentionally as the harvested product of the hydro-thermal reaction between Co(OAc)(2)·4H(2)O and 4,4'-bipyridine in the presence of 3-nitro-phthalic acid. In the reaction, 3-nitro-phthalic acid is transformed into 3-nitro-benzoic acid by an in situ deca-rboxylation reaction, in which the carboxyl-ate group is not deprotonated and is uncoordinated. In the crystal, the uncoordinated 3-nitro-benzoic acid and free 4,4'-bipyridine mol-ecules are linked alternately by O-H?N hydrogen bonds into chains, which are assembled by C-H?O hydrogen bonds into a three-dimensional supra-molecular network.

| S-EPMC2983553 | biostudies-literature

2,3,4,5-Tetra-fluoro-benzoic acid-4,4'-bipyridine (2/1).

Project description:The asymmetric unit of the title compound, 2C(7)H(2)F(4)O(2)·C(10)H(8)N(2), contains one mol-ecule of 2,3,4,5-tetra-fluoro-benzoic acid (tfb) and half of a centrosymmetric 4,4'-bipyridine mol-ecule. Inter-molecular O-H?N hydrogen bonds link two tfb mol-ecules and one 4,4'-bipyridine mol-ecule into a trimer. Weak inter-molecular C-H?F inter-actions assemble these trimers into a three-dimensional network structure.

| S-EPMC2977157 | biostudies-literature

4,4'-Bipyridine-2,3,4,5,6-penta-fluoro-benzoic acid (1/2).

Project description:In the title 1:2 adduct, C(10)H(8)N(2)·2C(7)HF(5)O(2), the complete 4,4'-bipyridine mol-ecule is generated by a crystallographic twofold axis. The components of the adduct are linked by inter-molecular O-H?N hydrogen bonds and further connected by a combination of C-H?O, C-H?F and F?F [2.859?(2)?Å] inter-actions.

| S-EPMC2970439 | biostudies-literature

2-(3-Meth-oxy-phen-oxy)benzoic acid.

Project description:In the crystal structure of the title compound, C(14)H(12)O(4), the mol-ecules form classical O-H?O hydrogen-bonded carb-oxy-lic acid dimers. These dimers are linked by C-H?pi; inter-actions into a three-dimensional network. The benzene rings are oriented at a dihedral angle of 69.6?(3)°.

| S-EPMC3089338 | biostudies-literature

4,4'-Bipyridine-4-(p-toluene-sulfonamido)-benzoic acid (1/2).

Project description:In the title compound, C(14)H(13)NO(4)S·0.5C(10)H(8)N(2), the two benzene rings are nearly perpendicular to each other [dihedral angle = 83.21?(10)°]. The bipyridine mol-ecule is centrosymmetric, the mid-point of the C-C bond linking the pyridine rings being located on an inversion center. Inter-molecular N-H?O and O-H?N hydrogen bonds and weak inter-molecular C-H?O hydrogen bonds are present in the crystal structure.

| S-EPMC3200677 | biostudies-literature

{2-[2-(Carb-oxy-meth-oxy)-phen-oxy]acetato}[2,2'-(o-phenyl-enedi-oxy)diacetic acid]sodium 4,4'-bipyridine hemisolvate monohydrate.

Project description:In the title compound, [Na(C(10)H(9)O(6))(C(10)H(10)O(6))]·0.5C(10)H(8)N(2)·H(2)O, the Na atom is eight-coordinated in an distorted dicapped-octa-hedral geometry by eight O atoms from a 2-(2-carb-oxy-meth-oxy-phen-oxy)acetate (o-BDOAH) anion and a 2,2'-(o-phenyl-enedi-oxy)diacetic acid (o-BDOAH(2)) mol-ecule. The uncoordinated 4,4'-bipyridine mol-ecule is arranged around an inversion center and exhibits rotational disorder. A three-dimensional supra-molecular network is built up in the crystal through O-H?O and O-H?N hydrogen bonds between the uncoordinated water mol-ecule, the uncoordinated 4,4'-bipyridine mol-ecule and the sodium complex mol-ecule.

| S-EPMC3007220 | biostudies-literature

Hemi(4,4'-bipyridinium) hexa-fluorido-phosphate bis-(4-amino-benzoic acid) 4,4'-bipyridine monohydrate.

Project description:In the title compound, 0.5C(10)H(10)N(2) (2+)·PF(6) (-)·C(10)H(8)N(2)·2C(7)H(7)NO(2)·H(2)O, the cation is located on a center of symmetry. The crystal structure is determined by a complex three-dimensional network of inter-molecular O-H?O, O-H?N, N-H?N and N-H?F hydrogen bonds. ?-? stacking inter-actions between neighboring pyridyl rings are also present; the centroid-centroid distance is 3.643?(5)?Å. The hexa-fluoridophosphate anion is disordered over two positions with site-occupancy factors of ca 0.6 and 0.4.

| S-EPMC2968380 | biostudies-literature

2-(Acet-oxy-meth-yl)benzoic acid.

Project description:The title compound, C(10)H(10)O(4), crystallizes with the well-known carb-oxy-lic acid dimer-forming R(2) (2)(8) hydrogen-bond motif. Chains approximately parallel to (-1-12) are then built through C(methyl-ene,phen-yl)-H?O(carbon-yl) inter-actions [C(6) and C(8) motifs] with one (meth-yl)C-H?? inter-action providing inter-planar binding. The weakness of the latter inter-action is consistent with the difficulty experienced in obtaining suitable single crystals.

| S-EPMC3569790 | biostudies-literature

4-(2-Carboxy-benzo-yl)benzoic acid-4,4'-bipyridine (1/1).

Project description:In the heteromolecular title compound, C(15)H(10)O(5)·C(10)H(8)N(2), the two components are linked by O-H⋯N hydrogen bonds to form four-component ring supra-molecular assemblies. These are further inter-connected with neighbouring mol-ecules by weak inter-molecular C-H⋯π inter-actions and C-H⋯O hydrogen bonds to generate a three-dimensional network.

| S-EPMC2959970 | 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