Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Biphenyl-4,4'-dicarb-oxy-lic acid N,N-dimethyl-formamide monosolvate.

ABSTRACT: Biphenyl-4,4'-dicarb-oxy-lic acid was recrystallized from N,N-dimethyl-formamide (DMF) yielding the title compound, C(14)H(10)O(4)·2C(3)H(7)NO. The acid mol-ecules are located on crystallographic centres of inversion and are hydrogen bonded to DMF mol-ecules. These hydrogen-bonded units form infinite chains although there is no inter-action between the methyl groups of neighboring DMF mol-ecules.

SUBMITTER: Jakobsen S

PROVIDER: S-EPMC3007922 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Biphenyl-3,3'-dicarb-oxy-lic acid.

Project description:The asymmetric unit of the title compound, C(14)H(10)O(4), contains one half mol-ecule, the complete mol-ecule being generated by a twofold axis. The two benzene rings form a dihedral angle of 43.11?(5)°. Inter-molecular O-H?O hydrogen bonds link the mol-ecules into one-dimensional zigzag chains. These chains are further connected into two-dimensional supra-molecular layers by weak ?-? stacking inter-actions between neighbouring benzene rings, with centroid-centroid distances of 3.7648?(8)?Å.

| S-EPMC3089151 | biostudies-literature

5,6-Dimethyl-pyrazine-2,3-dicarb-oxy-lic acid.

Project description:The asymmetric unit of the title compound, C(8)H(8)N(2)O(4), consists of one complete mol-ecule and a second mol-ecule generated by the application of twofold axis. The mean planes of the two carboxyl groups attached to the pyrazine ring at neighboring positions are twisted by 10.8?(1) and 87.9?(1)° in the complete molecule and 43.0?(1)° in the symmetry-generated molecule. The crystal packing features O-H?N hydrogen bonds, which link the mol-ecules into layers along [101].

| S-EPMC3254478 | biostudies-literature

2,2'-(Biphenyl-4,4'-diyldi-oxy)diacetic acid N,N-dimethyl-formamide solvate.

Project description:In the crystal struture of the title compound, C(16)H(14)O(6)·C(3)H(7)NO, the two crystallographically independent benzene rings are coplanar [dihedral angle = 1.00?(2)°]. The crystal structure is stabilized by O-H?O hydrogen bonds between the diacid and the solvate dimethylformamide mol-ecule, resulting in the formation of a zigzag chain structure extending parallel to [001].

| S-EPMC2977266 | biostudies-literature

4,4'-Bipyridine-pyridine-3,5-dicarb-oxy-lic acid (3/4).

Project description:In the title compound, 3C(10)H(8)N(2)·4C(7)H(5)NO(4), the asymmetric unit contains two mol-ecules of pyridine-3,5-dicarb-oxy-lic acid and one mol-ecule of 4,4'-bipyridine in general positions together with one mol-ecule of 4,4'-bipyridine lying across a centre of inversion, thus giving a 4:3 molar ratio of pyridine-3,5-dicarb-oxy-lic acid to 4,4'-bipyridine. The dihedral angle between the bipyridine rings on general positions is 21.2?(2)°. These mol-ecular units are linked by O-H?N hydrogen bonds forming an extended two-dimensional framework in the crystal.

| S-EPMC3213482 | biostudies-literature

Di-?-chlorido-bis-[(2,2'-bipyridine-5,5'-dicarb-oxy-lic acid-?(2)N,N')chloridocopper(II)] dimethyl-formamide tetra-solvate.

Project description:In the title compound, [Cu(2)Cl(4)(C(12)H(8)N(2)O(4))(2)]·4C(3)H(7)NO, which contains a chloride-bridged centrosymmetric Cu(II) dimer, the Cu(II) atom is in a distorted square-pyramidal 4 + 1 coordination geometry defined by the N atoms of the chelating 2,2'-bipyridine ligand, a terminal chloride and two bridging chloride ligands. Of the two independent dimethyl-formamide mol-ecules, one is hydrogen bonded to a single -COOH group, while one links two adjacent -COOH groups via a strong accepted O-H?O and a weak donated C(O)-H?O hydrogen bond. Two of these last mol-ecules and the two -COOH groups form a centrosymmetric hydrogen-bonded ring in which the CH=O and the -COOH groups by disorder adopt two alternate orientations in a 0.44:0.56 ratio. These hydrogen bonds link the Cu(II) complex mol-ecules and the dimethyl-formamide solvent mol-ecules into infinite chains along [-111]. Slipped ?-? stacking inter-actions between two centrosymmetric pyridine rings (centroid-centroid distance = 3.63?Å) contribute to the coherence of the structure along [0-11].

| S-EPMC3569178 | biostudies-literature

2-(2-Carb-oxy-eth-yl)-1,3-dioxoisoindoline-5,6-dicarb-oxy-lic acid methanol monosolvate.

Project description:In the title compound, C(13)H(9)NO(8)·CH(3)OH, the main mol-ecule possesses three carb-oxy-lic acid groups, which are asymmetrically distributed around the mol-ecule core. This results in hydrogen-bonding motifs ranging from a chain to various rings. The combination of the chain motif together with a carb-oxy-lic dimer R(2) (2)(8) ring motif creates a ribbon of mol-ecules propagating along the c-axis direction. A second ribbon results from the combination of the chain motif together with a methanol solvent mol-ecule and carboxyl-containing R(4) (4)(12) ring motif. These two ribbons combine alternately, forming a hydrogen-bonded layer of mol-ecules parallel to (2[Formula: see text]0).

| S-EPMC3254468 | biostudies-literature

(2,2'-Bipyridine-4,4'-dicarb-oxy-lic acid-?N,N')chlorido(2,2':6',2''-terpyridyl-?N,N',N'')ruthenium(II) perchlorate ethanol monosolvate monohydrate.

Project description:In the title compound, [RuCl(C(15)H(11)N(3))(C(12)H(8)N(2)O(4))]ClO(4)·C(2)H(5)OH·H(2)O, the geometry of the ClN(5) coordination set around the Ru(II) atom is close to octa-hedral, but distorted on account of the limited bite angles of the polypyridyl ligands. The complexes are linked by O-H?O hydrogen bonds between the carboxyl groups and the crystal lattice water mol-ecules into chains along [110]. Face-to-face stacking inter-actions are formed between terpyridine ligands, with inter-planar separations of 3.66?(1) and 3.42?(1)?Å, and between bipyridine-4,4'-dicarb-oxy-lic acid ligands, with inter-planar separations of 3.65?(1) and 3.72?(1)?Å. Three O atoms of the perchlorate ion are each disordered equally over two positions. The hy-droxy group of the ethanol mol-ecule is also disordered over two sites with refined occupancies of 0.794?(9) and 0.206?(9).

| S-EPMC3254339 | 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

Hexaaqua-cobalt(II) 3,3'-dicarb-oxy-biphenyl-4,4'-dicarboxyl-ate.

Project description:In the crystal structure of the title compound, [Co(H(2)O)(6)](C(16)H(8)O(8)), both the cation and anion are centrosymmetric. The Co cation displays a CoO(6) octa-hedral geometry formed by six water mol-ecules. In the anion, the two carboxyl groups are oriented at dihedral angles of 4.8?(5) and 10.4?(7)° with respect to the benzene ring. Very strong O-H?O hydrogen bonds between the protonated and deprotonated carboxylate groups occur. Neighbouring cations and anions are connected through O-H?O hydrogen bonds into a three-dimensional supra-molecular structure.

| S-EPMC3007239 | biostudies-literature

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

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