Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-[(E)-2-(Pyridin-2-yl)ethen-yl]pyridine-terephthalic acid (2/1).

ABSTRACT: The title 2:1 co-crystal, 2C12H10N2·C8H6O4, crystallizes with one mol-ecule of 4-[(E)-2-(pyridin-2-yl)ethen-yl]pyridine (A) and one half-mol-ecule of terephthalic acid (B) in the asymmetric unit. In the crystal, the components are linked through heterodimeric COOH⋯Npyridine synthons, forming linear aggregates of composition -A-B-A-B-. Further linkage through weak C-H⋯O and C-H⋯π inter-actions gives two-dimensional hydrogen-bonded undulating sheets propagating in the [100] and [010] directions. These layers are connected through additional weak C-H⋯O contacts, forming a three-dimensional structure.

SUBMITTER: Castro-Montes P

PROVIDER: S-EPMC3588979 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-[(E)-2-(Pyridin-2-yl)ethen-yl]pyridine-terephthalic acid (2/1).

Castro-Montes Paola P Guerrero-Alvarez Jorge A JA Hopfl Herbert H Campos-Gaxiola Jose J JJ Cruz-Enriquez Adriana A

Acta crystallographica. Section E, Structure reports online 20121117 Pt 12

The title 2:1 co-crystal, 2C12H10N2·C8H6O4, crystallizes with one mol-ecule of 4-[(E)-2-(pyridin-2-yl)ethen-yl]pyridine (A) and one half-mol-ecule of terephthalic acid (B) in the asymmetric unit. In the crystal, the components are linked through heterodimeric COOH⋯Npyridine synthons, forming linear aggregates of composition -A-B-A-B-. Further linkage through weak C-H⋯O and C-H⋯π inter-actions gives two-dimensional hydrogen-bonded undulating sheets propagating in the [100] and [010] directions. T ...[more]

PMID: 23476215

Similar Datasets

N,N'-Bis(pyridin-3-yl)terephthalamide-terephthalic acid (1/1).

Project description:In the title compound, C(18)H(14)N(4)O(2)·C(8)H(6)O(4), both types of mol-ecule lie on inversion centers. In the N,N'-bis-(pyridin-3-yl)terephthalamide mol-ecule, the pyridine ring forms a dihedral angle of 11.33 (9)° with the central benzene ring. In the crystal, N-H⋯O and O-H⋯N hydrogen bonds connect the components into a three-dimensional network.

| S-EPMC3247455 | biostudies-literature

4-(1H-Pyrazol-3-yl)pyridine-terephthalic acid-water (2/1/2).

Project description:In the title compound, 2C(8)H(7)N(3)·C(8)H(6)O(4)·2H(2)O, the pyridine and pyrazole rings are approximately coplanar, the dihedral angle between them being 4.69 (9)°. The asymmetric unit consists of half of the terephthalic acid (an inversion centre generates the other half of the mol-ecule), one 4-(1H-pyrazol-3-yl)pyridine (4pp) mol-ecule and one water mol-ecule. In the crystal, two 4pp and one terephthalic acid mol-ecules form a linear three-molecule unit as a result of O-H⋯N hydrogen bonds. These units are further assembled into a three-dimensional network by two types of hydrogen bonds, viz. O-H⋯O and N-H⋯O.

| S-EPMC3379495 | biostudies-literature

Methyl 6-oxo-4-phenyl-2-[(Z)-2-(pyridin-2-yl)ethen-yl]-1,4,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title mol-ecule, C20H18N2O3, an intra-molecular N-H⋯O hydrogen bond leads to a cis conformation of the pyridinyl-vinyl fragment. The phenyl and pyridine rings are inclined to one another by 77.3 (1) °. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked by C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming a three-dimensional structure.

| S-EPMC3589061 | biostudies-literature

2-Amino-benzoic acid-4-(pyridin-4-yl-disulfan-yl)pyridine (1/1).

Project description:The title 1:1 co-crystal, C(7)H(7)NO(2)·C(10)H(8)N(2)S(2), features a highly twisted 4-(pyridin-4-yldisulfan-yl)pyridine mol-ecule [dihedral angle between the pyridine rings = 89.06 (10)°]. A small twist is evident in the 2-amino-benzoic acid mol-ecule, with the C-C-C-O torsion angle being -7.7 (3)°. An N-H⋯O hydrogen bond occurs in the 2-amino-benzoic acid mol-ecule. In the crystal, mol-ecules are linked by O-H⋯N and N-H⋯N hydrogen bonds into a supra-molecular chain along the b axis. These are connected into layers by π-π inter-actions occurring between pyridine rings [centroid-centroid distance = 3.8489 (15) Å]. The layers are connected along the a axis by C-H⋯O contacts. The crystal studied was a racemic twin.

| S-EPMC3239006 | biostudies-literature

2-Amino-benzoic acid-4-[2-(pyridin-4-yl)eth-yl]pyridine (2/1).

Project description:The asymmetric unit of the title co-crystal, C12H12N2·2C7H7NO2, comprises a centrosymmetric 4-[2-(pyridin-4-yl)eth-yl]pyridine mol-ecule and a 2-amino-benzoic acid mol-ecule in a general position. The acid has a small twist between the carb-oxy-lic acid residue and the ring [dihedral angle = 7.13 (6)°] despite the presence of an intra-molecular N-H⋯O(carbon-yl) hydrogen bond. Three-mol-ecule aggregates are formed via O-H⋯N(pyrid-yl) hydrogen bonds, and these are connected into supra-molecular layers in the bc plane by N-H⋯O(carbon-yl) hydrogen bonds and π-π inter-actions between pyridine and benzene rings [inter-centroid distance = 3.6332 (9) Å]. Layers are connected along the a axis by weak π-π inter-actions between benzene rings [3.9577 (10) Å].

| S-EPMC3884291 | biostudies-literature

Diiodidobis{4-[2-(2-methyl-phen-yl)ethen-yl]pyridine-κN}cadmium.

Project description:In the title complex, [CdI(2)(C(14)H(13)N)(2)], the Cd atom lies on a twofold rotation axis that relates the I atom and the 4-(2-methyl-styr-yl)pyridine ligand to their counterparts. Therefore the asymmetric unit contains one crystallographically independent half-mol-ecule. The Cd atom adopts a tetra-hedral coordination geometry, coordinated by two I atoms and two N atoms from the symmetry-related 4-(2-methyl-styr-yl)pyridine ligands.

| S-EPMC3201305 | biostudies-literature

Bis(4-{2-[4-(diethyl-amino)-phen-yl]ethen-yl}pyridine-?N)diiodidozinc.

Project description:In the title compound, [ZnI2(C17H20N2)2], the Zn(II) atom is four-coordinated by two I atoms and the N atoms of two pyridine rings belonging to different ligands in a distorted tetra-hedral geometry. The coordinating pyridine rings are oriented in an almost perpendicular fashion, making a dihedral angle of 83.7?(5)°.

| S-EPMC3588506 | biostudies-literature

Crystal structure of 9-butyl-6-[2-(pyridin-4-yl)ethen-yl]carbazol-3-amine.

Project description:The asymmetric unit of the title compound, C23H23N3, consists of two mol-ecules, A and B, with different conformations. In mol-ecule A, the dihedral angle between the carbazole ring system (r.m.s. deviation = 0.028 Å) and the pyridine ring is 20.28 (9)° and the N-C-C-C torsion angle of the butyl side chain is -63.4 (3)°. The equivalent data for mol-ecule B are 0.065 Å, 48.28 (11)° and 61.0 (3)°, respectively. In the crystal, the components are connected by weak N-H⋯N hydrogen bonds, generating [030] C(14) chains of alternating A and B mol-ecules.

| S-EPMC4420045 | biostudies-literature

Benzoic acid-4-{(1E)-[(E)-2-(pyridin-4-yl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (2/1).

Project description:In the title co-crystal, C(12)H(10)N(4)·2C(7)H(6)O(2), the complete 4-pyridine-aldazine mol-ecule is generated by a crystallographic centre of inversion. In the crystal, mol-ecules are connected into a three component aggregate via O-H⋯N hydrogen bonds. As both the benzoic acid [O-C-C-C torsion angle = 174.8 (2)°] and 4-pyridine-aldazine (r.m.s. deviation of the 16 non-H atoms = 0.041 Å) mol-ecules are almost planar, the resulting three-component aggregate is essentially planar. The crystal packing comprises layers of the three-component aggregates of alternating orientation stacked along the b axis; the connections between the mol-ecules are of the types C-H⋯π and π-π [pyridine-benzene centroid-centroid distance = 3.787 (4) Å].

| S-EPMC3009056 | biostudies-literature

4-(Anthracen-9-yl)-2-phenyl-6-(pyridin-2-yl)pyridine.

Project description:In the title compound, C(30)H(20)N(2), the anthracene ring system is approximately planar [maximum deviation = 0.035 (2) Å] and is nearly perpendicular to the central pyridine ring, making a dihedral angle of 75.73 (7)°. The terminal pyridine ring and the phenyl ring are oriented at dihedral angles of 8.11 (10) and 13.22 (10)°, respectively, to the central pyridine ring.

| S-EPMC3344146 | 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