Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,10-Phenanthrolinium 2'-carboxy-biphenyl-2-carboxyl-ate.

ABSTRACT: The title complex, C(12)H(9)N(2) (+)·C(14)H(9)O(4) (-) or (Hphen)(+)(Hbptc)(-) [H(2)btc = 2,2'-biphenyl-dicarboxylic acid and phen = 1,10-phenanthroline], has been synthesized under hydro-thermal conditions. The compound is composed of discrete cations (Hphen)(+) and anions (Hbptc)(-), which are linked by electrovalent bonding; the molecular and crystal structures are further strengthened by intra-molecular O-H?O and inter-molecular N-H?O hydrogen bonds.

SUBMITTER: Wang C

PROVIDER: S-EPMC2970503 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,10-Phenanthrolinium 2'-carboxy-biphenyl-2-carboxyl-ate.

Wang Chongchen C

Acta crystallographica. Section E, Structure reports online 20090916 Pt 10

The title complex, C(12)H(9)N(2) (+)·C(14)H(9)O(4) (-) or (Hphen)(+)(Hbptc)(-) [H(2)btc = 2,2'-biphenyl-dicarboxylic acid and phen = 1,10-phenanthroline], has been synthesized under hydro-thermal conditions. The compound is composed of discrete cations (Hphen)(+) and anions (Hbptc)(-), which are linked by electrovalent bonding; the molecular and crystal structures are further strengthened by intra-molecular O-H⋯O and inter-molecular N-H⋯O hydrogen bonds. ...[more]

PMID: 21577929

Similar Datasets

3-Carboxy-pyrazino[2,3-f][1,10]phenanthrolin-9-ium-2-carboxyl-ate.

Project description:In the title zwitterionic compound, C(16)H(8)N(4)O(4), the dihedral angle between the carboxyl and carboxyl-ate groups is 72.14 (2)°. In the crystal, mol-ecules are linked by strong inter-molecular O-H⋯O(-) and N(+)-H⋯O(-) hydrogen bonds into double chains extended along [001]. These chains are additionally stabilized by π-π stacking inter-actions between the pyridine and benzene rings [centroid-centroid distance = 3.5542 (8) Å].

| S-EPMC2983978 | biostudies-literature

Piperazinediium bis-(2-carboxy-pyridine-3-carboxyl-ate).

Project description:The asymmetric unit of the title salt, C(4)H(12)N(2) (2+)·2C(7)H(4)NO(4) (-) or pipzH(2) (2+)·2(py-2,3-dcH(-)), prepared by a reaction between pyridine-2,3-dicarboxylic acid (py-2,3-dcH(2)) and piperazine (pipz), contains a monoanion and half of a centrosymmetric dication. The anionic fragment individually has two intra-molecular hydrogen bonds, an almost linear O-H⋯O bond between two carboxyl-ate groups and a C-H⋯O bond between the aromatic ring and carboxyl-ate group. Other O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds are responsible for three-dimensional expansion of the structure.

| S-EPMC2915291 | biostudies-literature

Dimethyl 2-amino-biphenyl-4,4'-di-carboxyl-ate.

Project description:The title compound, C16H15NO4, exhibits two near-planar aromatic ester groups with a maximum aryl-ester torsion angle of 1.9?(2)°. The dihedral angle between the benzene rings is 44.7?(1)°. In the crystal, N-H?O hydrogen bonding is observed along with C-H?O contacts, forming chanins along [101]. No ?-? inter-actions were noted between the benzene rings.

| S-EPMC3648318 | biostudies-literature

Dimethyl 2-nitro-biphenyl-4,4'-di-carboxyl-ate.

Project description:The title compound, C16H13NO6, exhibits a biphenyl unit with a dihedral angle between the two aryl rings of 56.01 (5)°. The two ester groups vary slightly from planarity, with ar-yl-ester dihedral angles of 4.57 (5) and 16.73 (5)°. The nitro group is turned from the aromatic unit with an ar-yl-nitro dihedral angle of 48.66 (4)°. In the crystal, mol-ecules are connected by weak C-H⋯O inter-actions, forming a three-dimensional network.

| S-EPMC3998483 | biostudies-literature

Tetra-methyl biphenyl-2,3,3',4'-tetra-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(20)H(18)O(8), contains two mol-ecules with small geometric differences. The dihedral angles between the benzene rings are 62.94 (12) and 59.99 (12)°. The dihedral angles between the carboxylate groups in the 2- and 3-positions are 81.72 (13) and 65.54 (15)°, respectively. However, the dihedral angles between the carboxylate groups in the 3' and 4'-positions are 67.24 (15) and 59.98 (17)°, respectively.

| S-EPMC2960517 | biostudies-literature

4,4'-Bipyridinium bis-(2-carboxy-pyridine-3-carboxyl-ate).

Project description:The title salt, C(10)H(10)N(2) (2+)·2C(7)H(4)NO(4) (-) or (4,4'-bpyH(2))(py-2,3-dcH)(2), prepared by the reaction between pyridine-2,3-dicarboxylic acid (py-2,3-dcH(2)) and 4,4'-bipyridine (4,4'-bpy), consists of two anions and one centrosymmetric dication. In the crystal, there are two strong O-H?O hydrogen bonds involving the two carboxyl-ate groups, with an O?O distance of 2.478?(1)?Å, and an N-H?N hydrogen bond between the anion and cation, with an N?N distance of 2.743?(1)?Å. These inter-actions, along with other O-H?O and C-H?O hydrogen bonds, ?-? stacking [centroid-centroid distances 3.621?(7) and 3.612?(7)?Å] and ion pairing, lead to the formation of the three-dimensional structure.

| S-EPMC2968067 | biostudies-literature

Hydrazinediium bis-(6-carboxy-pyridazine-3-carboxyl-ate) dihydrate.

Project description:The triclinic unit cell of the title compound, N(2)H(6) (2+)·2C(6)H(3)N(2)O(4) (-)·2H(2)O, contains one doubly protonated hydrazine cation which lies on an inversion centre, two symmetry-related singly deprotonated 6-carboxy-pyridazine-3-carboxyl-ate anions and two symmetry-related solvent water mol-ecules. The anions inter-act via hydrogen bonds to form double ribbons which are bridged by hydrogen bonds donated by hydrazinediium cations and water molecules.

| S-EPMC2960334 | biostudies-literature

Dimethyl 2,2'-di-nitro-biphenyl-4,4'-di-carboxyl-ate.

Project description:The title compound, C16H12N2O8, exhibits two near-planar aromatic ester groups with ar-yl-ester dihedral angles of 2.1 (2) and 4.2 (3)°. The dihedral angle between the aromatic rings is 58.0 (1)°. The two nitro groups are tilted slightly from the plane of the aromatic rings, making dihedral angles of 14.1 (1) and 8.2 (2)°. In the crystal, mol-ecules are connected by weak C-H⋯O inter-actions, forming a three-dimensional network.

| S-EPMC3998396 | biostudies-literature

Methyl 3',4',5'-trimeth-oxy-biphenyl-4-carboxyl-ate.

Project description:In the title compound, C17H18O5, the dihedral angle between the benzene rings is 31.23?(16)°. In the crystal, the mol-ecules are packed in an anti-parallel fashion in layers along the a axis. In each layer, very weak C-H?O hydrogen bonds occur between the meth-oxy and methyl ester groups. Weak C-H?? inter-actions between the 4'- and 5'-meth-oxy groups and neighbouring benzene rings [meth-oxy-C-ring centroid distances = 4.075 and 3.486?Å, respectively] connect the layers.

| S-EPMC3588494 | biostudies-literature

Dimethyl 3,3'-di-meth-oxy-biphenyl-4,4'-di-carboxyl-ate.

Project description:In the title compound, C18H18O6, the biphenyl moiety is twisted with a dihedral angle of 29.11 (10)°. The carbometh-oxy groups form C-C-C-O torsion angles of -18.3 (3) and -27.7 (3)° with the attached rings, as a result of steric hindrances from the nearby meth-oxy groups. In the absence of stacking inter-actions and with no H⋯O contacts shorter than 2.7 Å, the packing is dominated by weaker van der Waals inter-actions.

| S-EPMC3998533 | 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