Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Pyridinium-2-carboxyl-ate-benzene-1,2-diol (1/1).

ABSTRACT: The title compound, C(6)H(5)NO(2)·C(6)H(6)O(2), crystallizes with one pyridinium-2-carboxyl-ate zwitterion and one mol-ecule of benzene-1,2-diol in the asymmetric unit. The crystal structure is characterized by alternating mol-ecules forming zigzag chains running along the a axis: the mol-ecules are connected by O-H?O and N-H?(O,O) hydrogen bonds.

SUBMITTER: Ton CQ

PROVIDER: S-EPMC2971006 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Pyridinium-2-carboxyl-ate-benzene-1,2-diol (1/1).

Ton Cuong Quoc CQ Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

The title compound, C(6)H(5)NO(2)·C(6)H(6)O(2), crystallizes with one pyridinium-2-carboxyl-ate zwitterion and one mol-ecule of benzene-1,2-diol in the asymmetric unit. The crystal structure is characterized by alternating mol-ecules forming zigzag chains running along the a axis: the mol-ecules are connected by O-H⋯O and N-H⋯(O,O) hydrogen bonds. ...[more]

PMID: 21578424

Similar Datasets

Bis(propane-1,2-diammonium) benzene-1,2,4,5-tetra-carboxyl-ate dihydrate.

Project description:In the crystal of the title hydrated molecular salt, 2C(3)H(12)N(2) (2+)·C(10)H(2)O(8) (4-)·2H(2)O, the packing is stabilized by extensive N-H?O and O-H?O hydrogen-bonding inter-actions involving all three species, forming a supra-molecular three-dimensional structure. The tetraanion is generated by inversion.

| S-EPMC3011682 | biostudies-literature

Pyridinium 5-nitro-thio-phene-2-carboxyl-ate.

Project description:The anion of the title compound, C(5)H(6)N(+)·C(5)H(2)NO(4)S(-), is approximately planar, with the carboxyl-ate and nitro group planes forming dihedral angles of 7.5?(3) and 3.5?(3)°, respectively, with the thio-phene ring. In the crystal structure, the cations and anions are linked into a two-dimensional network parallel to (011) by N-H?O and C-H?O hydrogen bonds.

| S-EPMC2979441 | biostudies-literature

2,3-Diamino-pyridinium 4-meth-oxy-quinoline-2-carboxyl-ate.

Project description:In the 4-meth-oxy-quinoline-2-carboxyl-ate anion of the title salt, C5H8N3(+)·C11H8NO3(-), the dihedral angle between the quinoline ring system and the carboxyl-ate group is 16.54?(15)°. In the crystal, the cations and anions are linked via N-H?O and N-H?N hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R2(2)(9) and R4(2)(8) ring motifs. These units are further connected via N-H?O hydrogen bonds into a layer parallel to the bc plane. The crystal structure is also stabilized by weak C-H?O hydrogen bonds and ?-? inter-actions between pyridine rings [centroid-centroid distance = 3.5886?(8)?Å] and between pyridine and benzene rings [centroid-centroid distance = 3.6328?(8)?Å].

| S-EPMC3589023 | biostudies-literature

2-Amino-pyridinium 1-phenyl-cyclo-propane-1-carboxyl-ate.

Project description:In the title salt, C(5)H(7)N(2) (+)·C(10)H(9)O(2) (-), 2-amino-pyridine and 1-phenyl-cyclo-propane-1-carb-oxy-lic acid crystallize together, forming a 2-amino-pyridinium-carboxyl-ate supra-molecular heterosynthon involving two N-H?O hydrogen bonds, which in turn dimerizes to form a four-component supra-molecular unit also sustained by N-H?O hydrogen bonding. A C-H?? inter-action between a pyridine C-H group and the centroid of the phenyl ring of the anion further stabilizes the four-component supra-molecular unit. The overall crystal packing also features C-H?O inter-actions.

| S-EPMC3011640 | biostudies-literature

2,3-Diamino-pyridinium 6-carb-oxy-pyridine-2-carboxyl-ate.

Project description:The asymmetric unit of the title proton-transfer compound, C(5)H(8)N(3) (+)·C(7)H(4)NO(4) (-), consists of one mono-deprotonated pyridine-2,6-dicarb-oxy-lic acid as anion and one protonated 2,3-diamino-pyridine as cation. The crystal packing shows extensive O-H⋯O, N-H⋯O and N-H⋯N hydrogen bonds. Thre are also several π-π inter-actions between the anions and also between the cations [centriod-centroid distances = 3.6634 (7), 3.7269 (7), 3.6705 (7) and 3.4164 (7) Å].

| S-EPMC3238974 | biostudies-literature

Bis(piperazinediium) benzene-1,2,4,5-tetra-carboxyl-ate hexa-hydrate.

Project description:The title compound, 2C(4)H(12)N(2) (2+)·C(10)H(2)O(8) (4-)·6H(2)O or (pipzH(2))(2)(btc)·6H(2)O, was formed from the reaction between benzene-1,2,4,5-tetra-carboxylic acid (btcH(4)) as a proton donor and piperazine (pipz) as a proton acceptor. A variety of O-H?O, N-H?O and C-H?O hydrogen bonds, as well as C-H?? inter-actions, are present in the crystal structure. Two water O atoms are each disordered over two positions; for both the site occupany factors are ca 0.66 and 0.34.

| S-EPMC2960987 | biostudies-literature

Cyclo-hexane-1,2-diammonium bis-(pyridine-2-carboxyl-ate).

Project description:In the dication of the title salt, C(6)H(16)N(2) (2+)·2C(6)H(4)NO(2) (-), the two ammonium groups are in the equatorial positions of the chair-shaped cyclo-hexyl ring. In the crystal, the cations and anions are linked by N-H?O and N-H?N hydrogen bonds, forming a layer network parallel to the ac plane. Weak ?-? inter-actions between adjacent pyridine rings with a centroid-centroid distance of 3.589?(2)?Å are also present.

| S-EPMC2970198 | biostudies-literature

Bis(2-amino-pyridinium) 2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ate.

Project description:In the title compound, 2C(5)H(7)N(2) (+)·C(10)H(4)O(8) (2-), the 2-amino-pyridinium (2-apyH) cation and 2,5-dicarb-oxy-benzene-1,4-dicarboxyl-ate (btcH2) anion are both nearly planar, with r.m.s. deviations of 0.015 and 0.050?Å, respectively. The angle between the latter least-squares planes is 17.68?(9)°. The overall crystal structure results from the packing of two-dimensional networks, formed by alternating 2-apyH and btcH2 linked by hydrogen bonds, parallel to (100).

| S-EPMC3344628 | biostudies-literature

3-[(E)-(4-Ethyl-phen-yl)imino-meth-yl]benzene-1,2-diol.

Project description:The title compound, C(15)H(15)NO(2), adopts the enol-imine tautomeric form. The dihedral angle between the two benzene rings is 48.1?(1)°. Intra-molecular O-H?N and O-H?O hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, mol-ecules are linked into centrosymmetric R(2) (2)(10) dimers via pairs of O-H?O hydrogen bonds and the dimers may interact through very weak by ?-? inter-actions [centroid-centroid distance = 4.150?(1)?Å]. The ethyl group is disordered over two orientations, with occupancies of 0.587?(11) and 0.413?(11).

| S-EPMC2977215 | biostudies-literature

(E)-3-[(4-Butyl-phen-yl)imino-meth-yl]benzene-1,2-diol.

Project description:The title compound, C(17)H(19)NO(2), exists as an enol-imine tautomer. The dihedral angle between the two benzene rings is 4.6?(2)°. The mol-ecular structure is stabilized by intramol-ecular O-H?O and O-H?N hydrogen bonds which generate S(5) and S(6) ring motifs, respectively. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of O-H?O hydrogen bonds. In addition, C-H?? inter-actions involving both benzene rings are observed.

| S-EPMC2977352 | 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