Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Knizhnikov V

PROVIDER: S-EPMC3295496 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Knizhnikov Volodymyr V Gorichko Marian M Voitenko Zoya Z

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

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. ...[more]

PMID: 22412607

Similar Datasets

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

Project description: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.

| S-EPMC3212331 | 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

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

Cyclo-hexane-1,4-dicarb-oxy-lic acid-pyridinium-4-olate (1/1).

Project description:In the title adduct, C5H5NO·C8H12O4, the heterocycle exists in its zwitterionic form. The cyclo-hexane ring exhibits a chair conformation with the carb-oxy-lic acid groups in equatorial and axial orientations. In the crystal, mol-ecules are linked through charge-assisted O-H?O(-), N(+)-H?O(-) and N(+)-H?O hydrogen bonds, and an additional series of C-H?O contacts, giving a pleated two-dimensional hydrogen-bonded network parallel to (-204).

| S-EPMC3629634 | biostudies-literature

rac-cis-Cyclo-hexane-1,2-dicarb-oxy-lic acid-isoquinoline (1/1).

Project description:In the crystal structure of the title mol-ecular adduct, C(9)H(7)N·C(8)H(12)O(4), the two species are -linked through a carb-oxy-lic acid-isoquinoline O-H⋯N hydrogen bond. These mol-ecular pairs then inter-associate through the second acid group of the cis-cyclo-hexane-1,2-dicarb-oxy-lic acid molecules, forming a classic centrosymmetric cyclic head-to-head carb-oxy-lic acid-carboxyl O-H⋯O hydrogen-bonding association [graph-set R(2) (2)(8)], giving a zero-dimensional (cluster) structure, consisting of two of each species.

| S-EPMC3200759 | biostudies-literature

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

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

1,1':4',1''-Terphenyl-2',5'-dicarb-oxy-lic acid dimethyl sulfoxide-d(6) disolvate.

Project description:The asymmetric unit of the title solvate, C(20)H(14)O(4)·2C(2)D(6)OS, contains half of the substituted terephthalic acid mol-ecule and one solvent mol-ecule. The centroid of the central benzene ring in the acid mol-ecule is coincident with a crystallographic inversion center. Neither the carboxyl nor the phenyl substituents are coplanar with the central aromatic ring, showing dihedral angles of 53.18?(11) and 47.83?(11)°, respectively. The dimethyl sulfoxide solvent mol-ecules are hydrogen bonded to the carb-oxy-lic acid groups.

| S-EPMC3344129 | biostudies-other

4'-Acetyl-3''-carbamoyl-[1,1':3',1''-terphen-yl]-2-carb-oxy-lic acid.

Project description:In the title m-terphenyl derivative, C22H17NO4, the dihedral angles between the aromatic rings of the benzoic acid-acetophenone, acetophenone-benzamide and benzoic acid-benzamide units are 45.39?(8), 48.02?(8) and 42.93?(8)°, respectively. The carbamoyl and carboxyl groups are disordered with a refined occupancy ratio of 0.558?(15):0.442?(15). In the crystal, mol-ecules are linked through O-H?O and N-H?O hydrogen bonds between terminal carboxyl and carbamoyl groups in a bidentate manner, and anti-parallel helices are formed which extend along the b-axis direction.

| S-EPMC3790450 | 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

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