Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(2,3-Dimethyl-phen-yl)succinamic acid.

ABSTRACT: In the title compound, C(12)H(15)NO(3), the conformations of N-H and C=O bonds in the amide segment are anti to each other and that of the amide H atom is syn to the ortho- and meta-methyl groups in the benzene ring. In the crystal, the mol-ecules are linked into infinite chains through inter-molecular O-H?O and N-H?O hydrogen bonds.

SUBMITTER: Saraswathi BS

PROVIDER: S-EPMC3050406 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(2,3-Dimethyl-phen-yl)succinamic acid.

Saraswathi B S BS Foro Sabine S Gowda B Thimme BT Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20101224 Pt 1

In the title compound, C(12)H(15)NO(3), the conformations of N-H and C=O bonds in the amide segment are anti to each other and that of the amide H atom is syn to the ortho- and meta-methyl groups in the benzene ring. In the crystal, the mol-ecules are linked into infinite chains through inter-molecular O-H⋯O and N-H⋯O hydrogen bonds. ...[more]

PMID: 21522736

Similar Datasets

N-(3,5-Dimethyl-phen-yl)succinamic acid.

Project description:In the title compound, C(12)H(15)NO(3), the N-H and C=O bonds are anti to each other. The C=O and O-H bonds of the acid group display an anti-periplanar orientation relative to each other. The crystal packing features a three-dimensional network of molecules held together by O-H?O and N-H?O hydrogen bonds.

| S-EPMC3050227 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)succinamic acid.

Project description:In the amide segment of the title compound, C(12)H(15)NO(3) {systematic name: 3-[(2,6-dimethyl-phen-yl)amino-carbon-yl]propionic acid}, the N-H and C=O bonds are anti to each other. The mol-ecules are packed into a two-dimensional array via N-H?O and O-H?O hydrogen bonds.

| S-EPMC2968649 | biostudies-literature

N-(2,5-Dimethyl-phen-yl)succinamic acid monohydrate.

Project description:In the title compound, C(12)H(15)NO(3)·H(2)O, the conformation of the N-H bond in the amide segment is syn to the ortho-methyl group and anti to the meta-methyl group in the benzene ring. Further, the conformations of the amide O and the carbonyl O atom of the acid segment are anti to the adjacent methyl-ene H atoms. The C=O and O-H bonds of the acid group are syn to one another. The structure shows an inter-esting hydrogen-bonding pattern with the water mol-ecule forming hydrogen bonds with three different mol-ecules of the compound. In the crystal, mol-ecules are packed into infinite chains through inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC3212274 | biostudies-literature

N-(3,4-Dimethyl-phen-yl)succinamic acid.

Project description:The asymmetric unit of the title compound, C(12)H(15)NO(3), contains two independent mol-ecules. In both mol-ecules, the conformations of the amide oxygen and the carbonyl O atom of the acid segment are anti to the adjacent CH(2) groups. In the crystal, both molecules form inversion dimers linked by pairs of O-H?O hydrogen bonds and N-H?O interactions link the dimers into [100] chains.

| S-EPMC2979820 | biostudies-other

N-(2,4,6-Trimethyl-phen-yl)succinamic acid.

Project description:The amide bond in the title compound {systematic name: 3-[(2,4,6-trimethyl-phen-yl)amino-carbon-yl]propionic acid}, C(13)H(17)NO(3), has a trans conformation. In the crystal, two mol-ecules form a centrosymmetric dimer connected by pairs of O-H?O hydrogen bonds. Inter-molecular N-H?O hydrogen bonds link the dimers into a three dimensional network.

| S-EPMC2977192 | biostudies-literature

N-(2,6-Dichloro-phen-yl)succinamic acid.

Project description:In the crystal of the title compound, C(10)H(9)Cl(2)NO(3), the conformations of the amide O atom and the carbonyl O atom of the acid segment are anti to each other and to the H atoms on the adjacent -CH(2) groups. The C=O and O-H bonds of the acid group are syn to one another. In the crystal, mol-ecules are packed into infinite chains through inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC3212275 | biostudies-literature

N-(2-Chloro-phen-yl)succinamic acid.

Project description:The conformations of the N-H and C=O bonds in the amide segment of the structure of the title compound {systematic name: 3-[(2-chloro-phen-yl)amino-carbon-yl]propionic acid}, C(10)H(10)ClNO(3), are trans to each other, while the conformation of the amide H atom is syn to the ortho-chloro group in the benzene ring. Further, the conformations of the amide O atom and the carbonyl O atom of the ester segment are also trans to the H atoms attached to the adjacent C atoms. In the crystal structure, mol-ecules are packed into infinite chains through inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC2968338 | biostudies-literature

N-(2,5-Dichloro-phen-yl)succinamic acid.

Project description:In the title compound, C(10)H(9)Cl(2)NO(3), the conformation of the N-H bond in the amide segment is syn with respect to the ortho-Cl atom and anti to the meta-Cl atom of the benzene ring. In the crystal, inter-molecular O-H?O and N-H?O hydrogen bonds pack the mol-ecules into two types of chains along the a and b axes, respectively, leading to an overall sheet structure. The acid group in the side chain is disordered and was refined using a split model with site-occupation factors of 0.60:0.40.

| S-EPMC3213535 | biostudies-literature

N-(2-Methyl-phen-yl)succinamic acid.

Project description:In the crystal structure of the title compound, C(11)H(13)NO(3), the conformations of the N-H and C=O bonds in the amide segment are anti to each other and that of the amide H atom is syn to the ortho-methyl group in the benzene ring. In the crystal, O-H?O interactions lead to carboxylic acid inversion dimers and inter-molecular N-H?O hydrogen bonds link the mol-ecules into infinite chains. In addition, the crystal structure exhibits inter-molecular C-H?? inter-actions between one of the methyl H atoms and the benzene ring of neighbouring mol-ecules.

| S-EPMC2983792 | biostudies-literature

N-(3-Methyl-phen-yl)succinamic acid.

Project description:In the crystal structure of the title compound, C(11)H(13)NO(3), the conformations of the N-H and C=O bonds in the amide segment are anti to each other, and that of the amide H atom is anti to the meta-methyl group in the benzene ring. Furthermore, the conformations of the amide oxygen and the carbonyl O atom of the acid segment are also anti to the adjacent -CH(2) groups. The C=O and O-H bonds of the acid group are syn to each other. In the crystal, the mol-ecules are packed into infinite chains through inter-molecular N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2979942 | 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