Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(4-Meth-oxy-phen-yl)-5-methylisoxazole-4-carb-oxy-lic acid.

ABSTRACT: In the title compound, C12H11NO4, the dihedral angle between the benzene and isoxazole rings is 42.52?(8)°. The carb-oxy-lic acid group is close to being coplanar with the isoxazole ring [dihedral angle = 5.3?(2)°]. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R2(2)(8) loops.

SUBMITTER: Chandra

PROVIDER: S-EPMC3588455 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(4-Meth-oxy-phen-yl)-5-methylisoxazole-4-carb-oxy-lic acid.

Chandra Raghu K K Srikantamurthy N N Umesha K B KB Palani K K Mahendra M M

Acta crystallographica. Section E, Structure reports online 20130216 Pt 3

In the title compound, C12H11NO4, the dihedral angle between the benzene and isoxazole rings is 42.52 (8)°. The carb-oxy-lic acid group is close to being coplanar with the isoxazole ring [dihedral angle = 5.3 (2)°]. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R2(2)(8) loops. ...[more]

PMID: 23476573

Similar Datasets

1-Cyclo-hexyl-5-(4-meth-oxy-phen-yl)-1H-pyrazole-4-carb-oxy-lic acid.

Project description:In the title compound, C(17)H(20)N(2)O(3), the meth-oxy-phenyl unit is disordered over two sets of sites in a 0.715?(4):0.285?(4) ratio. The pyrazole ring forms dihedral angles of 55.88?(16) and 72.6?(4)° with the benzene rings of its major and minor components, respectively. The cyclo-hexane ring adopts a chair conformation and its C-N bond is in an equatorial orientation. In the crystal, mol-ecules are linked into inversion dimers by pairs of O-H?O hydrogen bonds, generating R(2) (2)(8) loops.

| S-EPMC3239134 | biostudies-literature

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

5-(Hy-droxy-meth-yl)furan-2-carb-oxy-lic acid.

Project description:In the title compound, C(6)H(6)O(4), the furan ring is nearly coplanar with the carboxyl group, the maximum atomic deviation being 0.0248?(9)?Å. The crystal packing is stabilized by classical O-H?O and weak C-H?O hydrogen bonding.

| S-EPMC3120284 | 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

2-[4-(Carb-oxy-meth-yl)phen-oxy]acetic acid.

Project description:The title compound, C(10)H(10)O(5), was obtained by the reaction of 4-hy-droxy-phenyl-acetic acid with chloro-acetic acid. In the crystal, the mol-ecules form a three-dimensional network by way of inter-molecular O-H?O hydrogen bonding.

| S-EPMC3050335 | biostudies-literature

2-(4-Methyl-phen-yl)quinoline-4-carb-oxy-lic acid.

Project description:In the title compound, C(17)H(13)NO(2), the dihedral angle between the plane of the carb-oxy group and the quinoline mean plane is 45.05?(13)°, and that between the toluene ring mean plane and the quinoline mean plane is 25.29?(7)°. In the crystal, molecules are linked via O-H?.N hydrogen bonds, forming chains propagating along the b-axis direction. These chain are linked via C-H?O interactions, forming two-dimensional networks lying parallel to the ab plane.

| S-EPMC3470244 | biostudies-literature

(2R,4R)-1-(tert-But-oxy-carbon-yl)-4-meth-oxy-pyrrolidine-2-carb-oxy-lic acid.

Project description:In the title compound, C(11)H(19)NO(5), the five-membered pyrrolidine ring adopts an envelope conformation. The dihedral angles between the carboxyl group plane, the pyrrolidine ring and the meth-oxy group are 59.50?(3) and 62.02?(1)°, respectively. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains along [100]. The absolute configuration is assigned in accord with that of (2R,4R)-1-(tert-but-oxy-carbon-yl)-4-hy-droxy-pyrrolidine-2-carb-oxy-lic acid, which was the starting material in the synthesis.

| S-EPMC3011444 | biostudies-literature

Crystal structure of 3-(3,4,5-tri-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-cyclo-penta[b]indole-2-carb-oxy-lic acid.

Project description:In the title compound, C21H21NO5, obtained from a Morita-Baylis-Hillman adduct, the hydrogenated five-membered ring adopts a shallow envelope conformation, with the C atom bearing the carb-oxy-lic acid substituent deviating by 0.237?(1)?Å from the mean plane of the other four atoms (r.m.s. deviation = 0.007?Å). The dihedral angle between the fused ring system (all atoms; r.m.s. deviation = 0.057?Å) and the pendant trimeth-oxy benzene ring is 66.65?(3)°. The C atoms of the meta-meth-oxy groups lie close to the plane of the benzene ring [deviations = 0.052?(1) and -0.083?(1)?Å], whereas the C atom of the para-meth-oxy group is significantly displaced [deviation = -1.289?(1)?Å]. In the crystal, carb-oxy-lic acid inversion dimers generate R 2 (2)(8) loops. The dimers are connected by N-H?O hydrogen bonds, forming [011] chains. A C-H?O inter-action is also observed.

| S-EPMC4459319 | 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

1-(tert-But-oxy-carbon-yl)piperidine-4-carb-oxy-lic acid.

Project description:In the title compound, C(11)H(19)NO(4), the piperidine ring adopts a chair conformation. In the crystal, mol-ecules are linked by inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, forming a layer parallel to the bc plane.

| S-EPMC3200981 | 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