Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Qin JL

PROVIDER: S-EPMC3052053 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Qin Jin-Lai JL

Acta crystallographica. Section E, Structure reports online 20110209 Pt 3

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 arc ...[more]

PMID: 21522350

Similar Datasets

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

5-Fluoro-isophthalic acid.

Project description:In the crystal structure of the title compound, C(8)H(5)FO(4), the complete molecule is generated by crystallographic twofold symmetry with two C atoms and the F atom lying on the axis. The mol-ecule is almost planar with the carboxyl group twisted with respect to the mean plane of the benzene ring by a dihedral angle of 2.01 (1)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds and C-H⋯F inter-actions connect the mol-ecules into a two-dimensional supra-molecular array.

| S-EPMC3052173 | biostudies-literature

5-Amino-2,4,6-triiodo-isophthalic acid-4,4'-bipyridine N,N'-dioxide-water (1/1/1).

Project description:The aromatic rings of the N,N'-dioxide molecule in the title compound, C(8)H(4)NI(3)O(4)·C(10)H(8)N(2)O(2)·H(2)O, are twisted by 14.0?(2)°. The -CO(2)H substituents of the 5-amino-2,4,6-triiodo-isophthalic acid are twisted by 83.0?(2) and 86.5?(2)° out of the plane of the aromatic ring. In the crystal, the three components are linked by O-H?O hydrogen bonds into a three-dimensional network. An N-H?O inter-action also occurs. One of the amino H atom is not involved in hydrogen bonding.

| S-EPMC3099751 | biostudies-literature

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

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

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

Project description: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 π-π stacking inter-actions [centroid-centroid distance = 3.7200 (11) Å] to generate a three-dimensional supra-molecular structure.

| S-EPMC2959634 | 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

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