Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4'-Bipyridine-cyano-acetic acid (1/2).

ABSTRACT: Crystals of the title adduct, C(10)H(8)N(2)·2C(3)H(3)NO(2), were obtained from a methanol/water solution of cyano-acetic acid and 4,4'-bipyridine at room temperature. In the crystal structure, cyano-acetic acid and centrosymmetric 4,4'-bipyridine mol-ecules are linked by O-H?N hydrogen bonds to form three-component supra-molecular adducts. The acidic H atom is almost midway between the O and N atoms of the cyano-acetic acid and bipyridine mol-ecules, with O-H and N-H distances of 1.19?(3) and 1.39?(3)?Å, respectively, so that the H-atom transfer is best regarded as partial. The three-component adducts are further inter-connected with neighboring mol-ecules by weak inter-molecular C-H?O and C-H?N hydrogen bonds and by ?-? stacking inter-actions [centroid-centroid distance = 3.7200?(11)?Å] to generate a three-dimensional supra-molecular structure.

SUBMITTER: Song G

PROVIDER: S-EPMC2959634 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,4'-Bipyridine-cyano-acetic acid (1/2).

Song Ge G Hao Er-Jun EJ Li Wei W

Acta crystallographica. Section E, Structure reports online 20081004 Pt 11

Crystals of the title adduct, C(10)H(8)N(2)·2C(3)H(3)NO(2), were obtained from a methanol/water solution of cyano-acetic acid and 4,4'-bipyridine at room temperature. In the crystal structure, cyano-acetic acid and centrosymmetric 4,4'-bipyridine mol-ecules are linked by O-H⋯N hydrogen bonds to form three-component supra-molecular adducts. The acidic H atom is almost midway between the O and N atoms of the cyano-acetic acid and bipyridine mol-ecules, with O-H and N-H distances of 1.19 (3) and 1. ...[more]

PMID: 21580924

Similar Datasets

4,4'-Bipyridine acetic acid disolvate.

Project description:The crystal structure of the title compound, C(10)H(8)N(2)·2C(2)H(4)O(2), is built up from 4,4'-bipyridine and acetic acid mol-ecules linked by strong O-H?N hydrogen bonds. The 4,4'-bipyridine and the two acetic acid mol-ecules are further connected through weak C-H?O hydrogen bonds to form a supra-molecular two-dimensional network parallel to the (001) plane. The two pyridine rings make a dihedral angle of 31.8?(1)°.

| S-EPMC2915004 | biostudies-literature

2-(4-Hydroxy-phen-yl)acetic acid-4,4'-bipyridine (1/1).

Project description:In the acid mol-ecule of the title complex, C(10)H(8)N(2)·C(8)H(8)O(3), the acetyl C-C-C-O torsion angle is -32.1?(3)°, and in the mol-ecule of the base, the dihedral angle between the two pyridine rings is 23.41?(10)°. In the crystal structure, inter-molecular O-H?N hydrogen bonds link the acid and the base mol-ecules into a one-dimensional triple-helix framework extended along the b axis.

| S-EPMC2979409 | biostudies-literature

4,4'-Bipyridine-pyroglutamic acid (1/2).

Project description:In the title co-crystal, C(10)H(8)N(2)·2C(5)H(7)NO(3), the 4,4'-bipyridine mol-ecule [dihedral angle between the pyridine rings = 36.33?(11)°] accepts O-H?N hydrogen bonds from the two pyroglutamic (pga) acid mol-ecules. The pga mol-ecules at each end of the trimeric aggregate self-associate via centrosymmetric eight-membered amide {?HNCO}(2) synthons, so that the crystal structure comprises one-dimensional supra-molecular chains propagating in [13]. C-H?O and ?-? stacking inter-actions [centroid-centroid separation = 3.590?(2)?Å] consolidate the structure.

| S-EPMC2971158 | biostudies-literature

4,4'-Bipyridine-terephthalic acid (1/1).

Project description:The asymmetric unit of the title compound, C(10)H(8)N(2)·C(8)H(6)O(4), consists of one half-mol-ecule of each moiety, 4,4'-bipyridine (bpy) and terephthalic acid (bdc), both being located on crystallographic inversion centers. They are linked together via strong inter-molecular O-H?N hydrogen bonds, forming infinite chains propagating along [1-21]. The chains are further connected through C-H?O inter-actions giving sheets in (012). The sheets are linked via ?-? inter-actions between the bpy rings and the bdc-bpy rings [centroid-centroid distances = 3.690?(2) and 3.869?(2)?Å], resulting in the formation of a three-dimensional supra-molecular layer-like structure.

| S-EPMC3379304 | biostudies-literature

Terephthalic acid-4,4'-bipyridine (2/1).

Project description:In the title compound, 2C(8)H(6)O(4)·C(10)H(8)N(2), the 4,4'-bipyridine mol-ecule is located on an inversion centre. In the crystal structure, strong inter-molecular O-H⋯N hydrogen bonds between the terephthalic acid and 4,4'-bipyridine mol-ecules lead to the formation of chains with graph-set motif C(2) (2)(8) along the diagonal of the bc plane.

| S-EPMC2969865 | biostudies-literature

Crystal structure of 4,4'-(disulfanediyl)dibutanoic acid-4,4'-bipyridine (1/1).

Project description:4,4'-(Disulfanediyl)dibutanoic acid (dtba) and 4,4'-bipyridine (4,4'-bpy) crystallize in an 1:1 ratio, leading to the title co-crystal with composition C8H14O4S2·C10H8N2. A distinctive feature of the crystal structure is the geometry of the dtba moiety, which appears to be stretched [with a 9.98?(1)?Å span between outermost carbons] and acts as an hydrogen-bonding connector, forming linear chains along [-211] with the 4,4'-bpy moiety by way of O-H?N hydrogen bonds and C-H?O interactions. The influence of the mol-ecular shape on the hydrogen-bonding pattern is analysed by comparing the title compound and two other 4,4'-bpy co-crystals with closely related mol-ecules of similar formulation but different geometry, showing the way in which this correlates with the packing arrangement.

| S-EPMC4186179 | biostudies-literature

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

2-Amino-terephthalic acid-4,4'-bipyridine (1/1).

Project description:The asymmetric unit of the title compound, C(10)H(8)N(2)·C(8)H(7)NO(4), contains two half-mol-ecules, which constitute a 1:1 co-crystal. The 2-amino-terephthalic acid mol-ecule is situated on an inversion center being disordered between two orientations in a 1:1 ratio. In the 4,4'-bipyridine mol-ecule, which is situated on a twofold rotational axis, the two pyridine rings form a dihedral angle of 37.5?(1)°. In the crystal, mol-ecules are held together via inter-molecular N-H?O and O-H?N hydrogen bonds. The crystal packing exhibits ?-? inter-actions between the aromatic rings with a centroid-centroid distance of 3.722?(3)?Å.

| S-EPMC3120464 | biostudies-literature

4,4'-Bipyridine-5-fluoro-isophthalic acid (1/1).

Project description:Co-crystallization of 5-fluoro-isophthalic acid (H(2)fip) with 4,4'-bipyridine (bipy) leads to the formation of the title compound [(H(2)fip)(bipy)], C(8)H(5)FO(4)·C(10)H(8)N(2), with an acid-base molar ratio of 1:1. The acid and base subunits are arrange alternately in the crystal structure, displaying a wave-like tape motif via inter-molecular O-H?N and C-H?O hydrogen bonds [carbox-yl-pyridine synthon of R(2) (2)(7) hydrogen-bond notation], which are further combined into a two-dimensional architecture through C-H?F inter-actions involving the bipy and H(2)fip mol-ecules.

| S-EPMC3052053 | 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

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