Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(4-Chloro-3-methyl-phen-yl)succinamic acid.

ABSTRACT: The title compound, C(11)H(12)ClNO(3), crystallizes with two independent mol-ecules in the asymmetric unit in which the dihedral angles between the benzene ring and the amide group are 55.0?(2) and 28.2?(3)°. The two independent mol-ecules are linked by an N-H?O hydrogen bond. In the crystal, mol-ecules form inversion dimers via pairs of O-H?O hydrogen bonds. These dimers are linked into sheets parallel to (11-3) via N-H?O hydrogen bonds.

SUBMITTER: Chaithanya U

PROVIDER: S-EPMC3393275 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(4-Chloro-3-methyl-phen-yl)succinamic acid.

Chaithanya U U Foro Sabine S Gowda B Thimme BT

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

The title compound, C(11)H(12)ClNO(3), crystallizes with two independent mol-ecules in the asymmetric unit in which the dihedral angles between the benzene ring and the amide group are 55.0 (2) and 28.2 (3)°. The two independent mol-ecules are linked by an N-H⋯O hydrogen bond. In the crystal, mol-ecules form inversion dimers via pairs of O-H⋯O hydrogen bonds. These dimers are linked into sheets parallel to (11-3) via N-H⋯O hydrogen bonds. ...[more]

PMID: 22807832

Similar Datasets

N-(3-Chloro-2-methyl-phen-yl)succinamic acid.

Project description:In the title compound, C(11)H(12)ClNO(3), the dihedral angle between the benzene ring and the amide group is 44.9?(2)°. In the crystal, mol-ecules form inversion dimers via pairs of O-H?O hydrogen bonds. These dimers are further linked into sheets parallel to (013) via N-H?O hydrogen bonds.

| S-EPMC3379433 | biostudies-literature

N-(2-Chloro-5-methyl-phen-yl)succinamic acid.

Project description:In the title compound, C(11)H(12)ClNO(3), the conformation of the N-H bond in the amide segment is syn with respect to the ortho-Cl atom. The amide and carboxyl C=O groups are syn to each other. Furthermore, the C=O and O-H bonds of the carboxyl group are in syn positions with respect to each other. The dihedral angle between the benzene ring and the amide group is 47.8?(2)°. In the crystal, mol-ecules are connected by pairs of O-H?O hydrogen bonds, forming inversion dimers. The dimers are further linked by N-H?O hydrogen bonds into double chains along the b-axis direction.

| S-EPMC3254554 | 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-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

N-(4-Chloro-3-nitro-phen-yl)succinamic acid.

Project description:In the title compound, C(10)H(9)ClN(2)O(5), the nitro group is significantly twisted out of the plane of the benzene ring to which it is attached [dihedral angle = 27.4 (6)°]. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of O-H⋯O hydrogen bonds. These dimers are further linked by N-H⋯O hydrogen bonds into double chains running along the a axis.

| S-EPMC3343932 | biostudies-literature

N-(2-Chloro-4-methyl-phen-yl)succinamic acid.

Project description:In the title compound, C(11)H(12)ClNO(3), the N-C=O fragment is twisted from the plane of the attached benzene ring by 48.39?(12)°. The carb-oxy-lic acid group is involved in O-H?O hydrogen bonding, which links pairs of mol-ecules into centrosymmetric dimers. N-H?O hydrogen bonds link these dimers, related by translation along the a axis, into ribbons.

| S-EPMC3297854 | biostudies-other

N-(3-Chloro-4-methyl-phen-yl)succinamic acid.

Project description:In the crystal structure of the title compound, C(11)H(12)ClNO(3), the asymmetric unit contains two independent mol-ecules. The N-H bond in the amide segment is anti to the meta-Cl atom in the benzene ring, in both molecules. The amide and carboxyl C=O bonds are also anti to each other and anti to the H atoms on the adjacent -CH(2) groups. Furthermore, the C=O and O-H bonds of the acid group are in syn positions with respect to each other. The dihedral angles between the benzene ring and the amide group are 40.6?(2) and 44.9?(3)° in the two independent molecules. In the crystal, mol-ecules are packed into sheets parallel to the (11-3) plane through O-H?O and N-H?O hydrogen bonds.

| S-EPMC3297894 | biostudies-other

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

Project description:In the title compound, C(10)H(10)ClNO(3), the N-H and C=O bonds in the amide segment are trans to each other. In the crystal structure, the mol-ecules are linked into infinite chains through inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC2983882 | biostudies-other

N-(4-Chloro-phen-yl)succinamic acid.

Project description:In the title compound, C(10)H(10)ClNO(3), the conformation of the amide O atom and the carbonyl O atom of the acid segment are anti to each other and further, they are anti to the H atoms of their adjacent -CH(2) groups. The C=O and O-H bonds of the acid group are in the syn position relative to each other. In the crystal, mol-ecules are packed into infinite chains through inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC2977089 | biostudies-other

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