Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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).

SUBMITTER: Khorasani S

PROVIDER: S-EPMC3254468 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Khorasani Sanaz S Fernandes Manuel A MA

Acta crystallographica. Section E, Structure reports online 20111214 Pt 1

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 metha ...[more]

PMID: 22259409

Similar Datasets

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

5-[(1H-Benzimidazol-1-yl)meth-yl]benzene-1,3-dicarb-oxy-lic acid.

Project description:Crystals of the title compound, C(16)H(12)N(2)O(4), were obtained accidentally from a hydro-thermal reaction of 5-[(1H-benzimidazol-1-yl)meth-yl]isophthalic acid with manganese bromide in the presence of N,N'-dimethyl-formamide. In the title mol-ecule, the benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.010 (2) Å. The benzimidazole and central benzene rings are inclined at a dihedral angle of 71.7 (6)°. The crystal structure is stabilized by O-H⋯N and O-H⋯O hydrogen bonds.

| S-EPMC3238952 | biostudies-literature

Benzene-1,3-dicarb-oxy-lic acid-1,2-bis-(4-pyrid-yl)ethene (1/1).

Project description:In the title compound, C(12)H(10)N(2)·C(8)H(6)O(4), the asymmetric unit contains two halves of 1,2-bis-(4-pyrid-yl)ethene (bpe) mol-ecules and one benzene-1,3-dicarb-oxy-lic acid (1,3-H(2)BDC) mol-ecule. These bpe and 1,3-H(2)BDC mol-ecules are linked by classical O-H?N hydrogen bonds, forming an extended one-dimensional zigzag chain. Each chain is further linked with neighboring ones by ?-? inter-actions between the pyridine and aromatic rings [centroid-centroid distances = 3.9306?(15)?Å] and the pyridine rings of pairs of symmetry-related mol-ecules [centroid-centroid distances = 3.5751?(15), 3.7350?(15) and 3.6882?(15)?Å], with the formation of a three-dimensional supra-molecular framework.

| S-EPMC3247433 | biostudies-literature

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

Project description: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.

| S-EPMC3007922 | biostudies-literature

4-Carbamoylpiperidinium 2-carb-oxy-benzoate-benzene-1,2-dicarb-oxy-lic acid (1/1).

Project description:The asymmetric unit of the title salt adduct, C(6)H(13)N(2)O(+)·C(8)H(5)O(4) (-)·C(8)H(6)O(4), comprises one isonipecotamide cation, a hydrogen phthalate anion and a phthalic acid adduct mol-ecule. These form a two-dimensional hydrogen-bonded network through head-to-tail cation-anion-adduct mol-ecule inter-actions which include a cyclic heteromolecular amide-carboxyl-ate motif [graph set R(2) (2)(8)], conjoint cyclic R(2) (2)(6) and R(3) (3)(10) piperidinium N-H⋯O(carbox-yl) associations, as well as strong carboxyl O-H⋯O(carbox-yl) hydrogen bonds.

| S-EPMC3052136 | biostudies-literature

A monoclinic polymorph of 5-[(1H-benzimidazol-1-yl)meth-yl]benzene-1,3-dicarb-oxy-lic acid.

Project description:Crystals of the title compound, C(16)H(12)N(2)O(4), were obtained accidentally by the hydro-thermal reaction of 5-[(1H-benzo[d]imidazol-1-yl)meth-yl]isophthalic acid with manganese chloride tetra-hydrate in the presence of KOH as alkaline reagent for the deprotonation. A triclinic polymorph of this structure has been reported previously from a similar reaction [Cheng (2011 ?). Acta Cryst. E67, o3299]. The benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.020?(4)?Å. The benzimidazole unit and benzene ring are inclined at a dihedral angle of 68.17?(4)°, reflecting the axial rotation of the flexible benzimidazolyl arm. In the crystal, pairs of O-H?O hydrogen bonds link adjacent mol-ecules into inversion dimers. O-H?N contacts connect these dimers into zigzag chains along [010].

| S-EPMC3515175 | biostudies-literature

3-(tert-But-oxy-carbon-yl)-2-(4-chloro-phen-yl)-1,3-thia-zolidine-4-carb-oxy-lic acid.

Project description:In the title compound, C(15)H(18)ClNO(4)S, the thia-zolidine ring adopts a twisted conformation about the S-C(methyl-ene) bond. The dihedral angle between the five- and six-membered rings is 77.2 (3)°. In the crystal, the mol-ecules are linked by O-H⋯O hydrogen bonds, generating C(7) chains propagating in [100].

| S-EPMC2983415 | biostudies-literature

N-(?-Carb-oxy-eth-yl)-?-isoleucine.

Project description:The title compound, {2-[(2-carbamoyleth-yl)amino]-3-methyl-penta-noic acid}, C(9)H(18)N(2)O(3), is of inter-est with respect to its biological activity. It was formed during an addition reaction between acryl-amide and the amino acid isoleucine. The crystal structure is a three-dimensional network built up by inter-molecular N-H?O and O-H?N hydrogen bonds.

| S-EPMC3569235 | biostudies-literature

Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carb-oxy-lic acid and 2,2,5-trimethyl-1,3-dioxane-5-carb-oxy-lic anhydride.

Project description:In 2,2,5-trimethyl-1,3-dioxane-5-carb-oxy-lic acid, C8H14O4, the carboxyl group occupies an equatorial position on the 1,3-dioxane ring. In the crystal, O-H⋯O hydrogen bonds form chains of mol-ecules, which are linked into a three-dimensional network by C-H⋯O hydrogen bonds. The asymmetric unit of 2,2,5-trimethyl-1,3-dioxane-5-carb-oxy-lic anhydride, C16H26O7, consists of two independent mol-ecules, which are linked by C-H⋯O hydrogen bonds. In the crystal, these units are connected into corrugated layers two mol-ecules thick and parallel to the ab plane by additional C-H⋯O hydrogen bonds.

| S-EPMC6944095 | biostudies-literature

4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 3,5-dicarb-oxy-benzene-sulfonate methanol monosolvate.

Project description:In the crystal structure of the title solvated salt, C(16)H(19)N(2) (+)·C(8)H(5)O(7)S(-)·CH(3)OH, the anions and the methanol solvent mol-ecules are linked by O-H⋯O hydrogen bonds. The cations and anions are packed as alternate layers parallel to (11[Formula: see text]). The crystal structure is further stabilized by a π-π inter-action between the pyridinium and benzene rings of the cations, with a centroid-centroid distance of 3.5492 (4) Å.

| S-EPMC3274978 | 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