Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Parthasarathy R

PROVIDER: S-EPMC3275276 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Parthasarathy Rajasekaran R Jenniefer Samson Jegan SJ Thomas Muthiah Packianathan P Sulochana Nagarajan N

Acta crystallographica. Section E, Structure reports online 20120131 Pt 2

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. ...[more]

PMID: 22347132

Similar Datasets

rac-4-(2-Meth-oxy-phen-yl)-2,6-dimethyl-cyclo-hex-3-ene-carb-oxy-lic acid.

Project description:The title compound, C(16)H(20)O(3), was synthesized to study the hydrogen-bonding inter-actions of the two enanti-omers in the solid state. Inter-molecular O-H?O hydrogen bonds produce centrosymmetric R(2) (2)(8) rings which dimerize the two chiral enanti-omers together through their carboxyl groups.

| S-EPMC2979589 | biostudies-literature

6-(Hex-5-en-yloxy)naphthalene-2-carb-oxy-lic acid.

Project description:The asymmetric unit of the title compound, C17H18O3, comprises three independent mol-ecules with similar geometries. In each mol-ecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0?(2), 1.05?(19)° and 1.5?(2)°. The butene group in all three mol-ecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664?(6):0.336?(6). In the crystal, mol-ecules are oriented with respect to their carbonyl groups, forming head-to-head dimers via O-H?O hydrogen bonds. Adjacent dimers are further inter-connected by C-H?O hydrogen bonds into chains along the a-axis direction. The crystal structure is further stabilized by weak C-H?? inter-actions.

| S-EPMC4051067 | 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

e,e-trans-Cyclo-hexane-1,4-carb-oxy-lic acid-hexa-methyl-ene-tetra-mine (1/2).

Project description:The asymmetric unit of the title compound, 2C(6)H(12)N(4)·C(8)H(12)O(4), contains one half-mol-ecule of e,e-trans-cyclo-hexane-1,4-dicarb-oxy-lic acid (the complete molecule being generated by inversion symmetry) and one mol-ecule of hexa-methyl-ene-tetra-mine (HMTA), which are connected by O-H?N hydrogen bonds. This forms isolated trimers that pack in a herringbone fashion.

| S-EPMC3051586 | 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

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

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

4-[(4-Meth-oxy-benzene-sulfonamido)-meth-yl]cyclo-hexane-1-carb-oxy-lic acid.

Project description:In the title compound, C(15)H(21)NO(5)S, two crystallographically independent mol-ecules are linked into a dimer by a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal, mol-ecules are further linked by inter-molecular O-H⋯O hydrogen bonds into a two-dimensional network parallel to (012). Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3200917 | biostudies-literature

Pyrimidine-4-carb-oxy-lic acid.

Project description:The crystal structure of the title compound, C5H4N2O2, is built of acid mol-ecules located on a mirror plane. They form sheets stacked along the b-axis direction. The mol-ecules inter-act via O-H?N hydrogen bonds, forming [001] chains, and weak van der Waals inter-actions.

| S-EPMC3685042 | biostudies-literature

3-Carb-oxy-methyl-1H-indole-4-carb-oxy-lic acid.

Project description:In the title compound, C(11)H(9)NO(4), the carboxyl group bonded to the six-membered ring lies close to the plane of the 1H-indole ring system [dihedral angle = 13.13?(9)°], whereas the carb-oxy-lic acid group linked to the five-membered ring by a methyl-ene bridge is close to perpendicular [78.85?(9)°]. In the crystal, O-H?O and N-H?O hydrogen bonds link the mol-ecules, generating (110) sheets.

| S-EPMC3254489 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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