Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-Bipyridine-cyclo-pentane-1,2,3,4-tetra-carb-oxy-lic acid (1/1).

ABSTRACT: The asymmetric unit of the title compound, C(10)H(8)N(2)·C(9)H(10)O(8), contains a half-molecule of 2,2'-bipyridine and a half-molecule of 1,2,3,4-cyclopentanetetracarboxylic acid, both components being completed by crystallographic inversion symmetry. In the crystal, the mol-ecules are assembled into chains extending along [010] by O-H?N hydrogen bonds; adjacent chains are linked by O-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Lin JL

PROVIDER: S-EPMC3212331 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2'-Bipyridine-cyclo-pentane-1,2,3,4-tetra-carb-oxy-lic acid (1/1).

Lin Jian-Li JL Guo Xia-Xia XX Huang Wen-Xiang WX

Acta crystallographica. Section E, Structure reports online 20110709 Pt 8

The asymmetric unit of the title compound, C(10)H(8)N(2)·C(9)H(10)O(8), contains a half-molecule of 2,2'-bipyridine and a half-molecule of 1,2,3,4-cyclopentanetetracarboxylic acid, both components being completed by crystallographic inversion symmetry. In the crystal, the mol-ecules are assembled into chains extending along [010] by O-H⋯N hydrogen bonds; adjacent chains are linked by O-H⋯O hydrogen bonds into a three-dimensional network. ...[more]

PMID: 22090988

Similar Datasets

4,4'-Bipyridine-cyclo-hexane-1,2,4,5-tetra-carb-oxy-lic acid (1/1).

Project description:In the title 1:1 adduct, C(10)H(8)N(2)·C(10)H(12)O(8), the dihedral angle between the pyridine rings in the 4,4-bipyridine molecule is 8.33 (13)°. In the crystal, the cyclo-hexane-1,2,4,5-tetra-carb-oxy-lic acid mol-ecules inter-act with each other through inter-molecular O-H⋯O hydrogen bonds, forming an infinite chain along the a axis, which is further linked perpendicularly by O-H⋯N hydrogen bonds involving bipyridine, resulting in a supra-molecular corrugated sheet parallel to the (110) plane.

| S-EPMC3009091 | biostudies-literature

Pyrimidin-2-amine-1-phenyl-cyclo-pentane-1-carb-oxy-lic acid (1/1).

Project description:In the crystal structure of the title co-crystal, C(4)H(5)N(3)·C(12)H(14)O(2), the components are linked by N-H?O and O-H?N hydrogen bonds. Self-assembly of these dimeric units results in a four-component supra-molecular unit featuring a homosynthon between two mol-ecules of the pyrimidin-2-amine involving two N-H?O hydrogen bonds, and two heterosynthons between each one mol-ecule of pyrimidin-2-amine and 1-phenyl-cyclo-pentane-1-carb-oxy-lic acid involving N-H?O and O-H?N hydrogen bonds.

| S-EPMC3052005 | biostudies-literature

Butane-1,2,3,4-tetra-carb-oxy-lic acid-1,10-phenanthroline-water (1/2/2).

Project description:The asymmetric unit of the title compound, 2C(12)H(8)N(2)·C(8)H(10)O(8)·2H(2)O, contains one 1,10-phenanthroline mol-ecule, one half-mol-ecule of butane-1,2,3,4-tetra-carb-oxy-lic acid (H(4)BTC) and a water mol-ecule, with the complete tetra-acid generated by crystallographic inversion symmetry. Inter-molecular O-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.672?(2) and 3.708?(2)?Å form an extensive three-dimensional network, which consolidates the crystal packing.

| S-EPMC3151845 | biostudies-literature

(1S*,2S*,4R*,5R*)-Cyclo-hexane-1,2,4,5-tetra-carb-oxy-lic acid.

Project description:The title compound, C10H12O8, a prospective raw material for colourless polyimides which are applied to electronic and microelectronic devices, lies about an inversion centre and the cyclo-hexane ring adopts a chair conformation. Two crystallographycally independent carb-oxy-lic acid groups on adjacent C atoms are in equatorial positions, resulting in a mutually trans conformation. In the crystal, O-H?O hydrogen bonds around an inversion centre and a threefold rotoinversion axis, respectively, form an inversion dimer with an R 2 (2)(8) motif and a trimer with an R 3 (3)(12) motif.

| S-EPMC3914102 | biostudies-literature

Crystal structure of 3-(3,4,5-tri-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-cyclo-penta[b]indole-2-carb-oxy-lic acid.

Project description:In the title compound, C21H21NO5, obtained from a Morita-Baylis-Hillman adduct, the hydrogenated five-membered ring adopts a shallow envelope conformation, with the C atom bearing the carb-oxy-lic acid substituent deviating by 0.237 (1) Å from the mean plane of the other four atoms (r.m.s. deviation = 0.007 Å). The dihedral angle between the fused ring system (all atoms; r.m.s. deviation = 0.057 Å) and the pendant trimeth-oxy benzene ring is 66.65 (3)°. The C atoms of the meta-meth-oxy groups lie close to the plane of the benzene ring [deviations = 0.052 (1) and -0.083 (1) Å], whereas the C atom of the para-meth-oxy group is significantly displaced [deviation = -1.289 (1) Å]. In the crystal, carb-oxy-lic acid inversion dimers generate R 2 (2)(8) loops. The dimers are connected by N-H⋯O hydrogen bonds, forming [011] chains. A C-H⋯O inter-action is also observed.

| S-EPMC4459319 | biostudies-literature

Biphenyl-2,2',4,4'-tetra-carb-oxy-lic acid monohydrate.

Project description:In the title compound, C(16)H(10)O(8)·H(2)O, the dihedral angle between the two benzene rings is 71.63?(5)°. In the crystal structure, pairs of inversion-related mol-ecules are stacked [mean inter-planar spacing = 3.5195?(18)?Å], and O-H?O and C-H?O hydrogen bonds create a three-dimensional network.

| S-EPMC2983381 | biostudies-other

3-Carbamoyl-2,2-dimethyl-cyclo-pentane-1,1-dicarb-oxy-lic acid.

Project description:In the title compound, C(10)H(15)NO(5), the five-membered cyclo-pentane ring has an envelope conformation, with four atoms lying in a plane (mean deviation = 0.0213?Å), while the fifth atom deviates from this plane by 0.626?(2)?Å. A three-dimensional structure is formed through N-H?O and O-H?O hydrogen bonds between the amide and carb-oxy-lic acid groups and both carb-oxy-lic acid and amide O-atom acceptors.

| S-EPMC3295496 | biostudies-other

4,4'-Bipyridine-2-(carb-oxy-methyl-sulfan-yl)pyridine-3-carb-oxy-lic acid (1/1).

Project description:In the title co-crystal, C(10)H(8)N(2)·C(8)H(7)NO(4)S, the formate group is coplanar with the pyridyl ring of the acid [dihedral angle = 6.2?(7)°], while the carb-oxy-methyl-sulfanyl group makes a C-S-C-C torsion angle of 70.2?(1)° with the pyridine ring. The dihedral angle between the pyridyl rings of the 4,4'-bipyridine mol-ecule is 27.4?(1)°. The acid and the 4,4'-bipyridine mol-ecules are involved in hydrogen bonding via carb-oxy-lic O and pyridyl N atoms. The structure is further consolidated by inter-molecular C-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3011421 | biostudies-literature

2,6,6-Trimethyl-cyclo-hex-2-ene-carb-oxy-lic acid.

Project description:In the title crystal structure, C(10)H(16)O(2), inversion-related mol-ecules are linked by pairs of O-H?O hydrogen bonds involving carboxyl groups to form R(2) (2)(8) dimers. The cyclo-hexene ring displays a half-chair conformation.

| S-EPMC3275276 | biostudies-literature

(1R*,2S*,4S*,5R*)-Cyclo-hexane-1,2:4,5-tetra-carb-oxy-lic dianhydride.

Project description:The title compound, C(10)H(8)O(6), a promising raw material to obtain colorless polyimides which are applied to microelectronic and optoelectronic devices, adopts a folded conformation in which the dihedral angle between the two anhydro rings is 55.15?(8)°. The central six-membered ring assumes a conformation inter-mediate between boat and twist-boat. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, forming a layer parallel to the bc plane.

| S-EPMC3297306 | 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