Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2R)-2-(1,3-Dioxoisoindolin-2-yl)-3-methyl-butanoic acid.

ABSTRACT: In the title compound, C(13)H(13)NO(4), the dihedral angle between the nine-membered phthalimino ring system and the carb-oxy-lic acid group is 67.15?(9)°. An intra-molecular C-H?O close contact, which forms an S(6) ring, may help to establish the mol-ecular conformation. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, thereby forming C(7) chains propagating in [010].

SUBMITTER: Raza AR

PROVIDER: S-EPMC3200837 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(2R)-2-(1,3-Dioxoisoindolin-2-yl)-3-methyl-butanoic acid.

Raza Abdul Rauf AR Saddiqa Aisha A Tahir M Nawaz MN Saddiq Sadia S

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the title compound, C(13)H(13)NO(4), the dihedral angle between the nine-membered phthalimino ring system and the carb-oxy-lic acid group is 67.15 (9)°. An intra-molecular C-H⋯O close contact, which forms an S(6) ring, may help to establish the mol-ecular conformation. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, thereby forming C(7) chains propagating in [010]. ...[more]

PMID: 22065505

Similar Datasets

(2R)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methyl-sulfan-yl)butanoic acid.

Project description:The title compound, C(13)H(13)NO(4)S, the 1,3-dioxoisoindolin-2-yl unit is planar (r.m.s. deviation 0.0192?Å) and is oriented at a dihedral angle of 79.14?(18)° to the carboxyl-ate group. An intra-molecular C-H?O hydrogen bond leads to the formation of a planar (r.m.s. deviation 0.0419?Å)R(5) ring motif. In the crystal, mol-ecules are connected through O-H?O and C-H?O hydrogen bonds with R(2) (2)(9) ring motifs into chains extending along the b axis.

| S-EPMC2977145 | biostudies-literature

2-{(1R,2R)-2-[Bis(4-methyl-benz-yl)amino]-cyclo-hex-yl}isoindoline-1,3-dione.

Project description:In the title mol-ecule, C(30)H(32)N(2)O(2), the two tolyl rings form dihedral angles of 65.8 (1) and 6.6 (1)° with the isoindole-1,3-dione mean plane. The cyclo-hexane ring adopts a chair conformation.

| S-EPMC3120613 | biostudies-literature

2-{[(E)-1,3-Benzodioxol-5-yl]methyl-idene-amino}-benzoic acid.

Project description:In the title compound, C(15)H(11)NO(4), the dihedral angle between the aromatic rings is 23.8 (2)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2983421 | biostudies-literature

(1R*,2R*,3S*,4R*)-Diethyl 4-hy-droxy-4-methyl-2-(4-methyl-phen-yl)-6-oxo-cyclo-hexane-1,3-di-carboxyl-ate.

Project description:The title compound, C20H26O6, is chiral and crystallizes as a racemate: the relative configuration of the stereogenic centres is 1R*,2R*,3S*,4R*. The cyclo-hexane ring has a chair conformation. The ethyl fragment of the eth-oxy-carbonyl group in the 3-position is disordered over two sets of sites in a 0.650?(6):0.350?(6) ratio. The hy-droxy group acts as a bifurcated hydrogen-bond donor, forming both intra- and inter-molecular hydrogen bonds with ester carbonyl O atoms. The inter-molecular hydrogen bonds form inversion dimers in the crystal.

| S-EPMC3648266 | biostudies-literature

2-(2-Chloro-phen-yl)-5-methyl-1,3-dioxane-5-carboxylic acid.

Project description:In the title compound, C(12)H(13)ClO(4), the 1,3-dioxane ring adopts a chair conformation and the 2-chloro-benzene and methyl substituents occupy equatorial sites. The carboxyl group is in an axial inclination. In the crystal, carb-oxy-lic acid inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3393306 | biostudies-literature

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

Project description:In the title compound, C(15)H(18)ClNO(4)S·H(2)O, the thia-zolidine ring displays a half-chair conformation. In the crystal, the water mol-ecules are linked to the organic acid mol-ecules via inter-molecular O-H?O hydrogen bonds.

| S-EPMC3009144 | biostudies-literature

2,2-Dichloro-1-[(2R,5S)-5-ethyl-2-methyl-2-propyl-1,3-oxazolidin-3-yl]ethanone.

Project description:In the title compound, C(11)H(19)Cl(2)NO(2), the oxazolidine ring is in an envelope conformation with the O atom forming the flap. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds, forming chains.

| S-EPMC2979515 | biostudies-other

7-(1,3-Dioxolan-2-ylmeth-yl)-1,3-di-methyl-purine-2,6(1H,3H)-dione trichloro-acetic acid solvate.

Project description:In the title compound, C(11)H(14)N(4)O(4)·C(2)HCl(3)O(2), the dioxolane ring adopts an envelope conformation. Doxophylline [7-(1,3-dioxolan-2-yl-meth-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione] and trichloro-acetic acid mol-ecules are linked by O-H⋯N and C-H⋯O hydrogen bonds.

| S-EPMC2915388 | biostudies-literature

Methyl 2-(1,3-dioxoisoindolin-2-yl)acrylate.

Project description:In the title compound, C(12)H(9)NO(4), an important dehydro-amino acid, the acrylate C=C double bond is not parallel to the adjacent carbonyl group and an s-trans configuration is also observed.

| S-EPMC2915346 | biostudies-literature

4-Methyl-1,3-bis-(3,4-methyl-enedioxy-benz-yl)-2-(3,4-methyl-enedioxy-phen-yl)imidazolidine.

Project description:In the title compound, C(27)H(26)N(2)O(6), the imidazolidine ring adopts an envelope conformation. The methyl group on the imidazolidine ring is disordered over two positions with occupancies of 0.517?(11) and 0.483?(11), and the 3,4-methyl-enedioxy-phenyl at the 3-position of imidazolidine ring is also disordered over two positions with occupancies of 0.60?(2) and 0.40?(2).

| S-EPMC2971787 | 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