Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2-Bromo-phen-yl)acetic acid.

ABSTRACT: In the title mol-ecule, C(8)H(7)BrO(2), the carboxyl group is twisted by 76.2?(3)° from the benzene ring plane. In the crystal, mol-ecules are linked into inversion dimers through pairs of O-H?O hydrogen bonds. The dimers are further linked into layers parallel to the bc plane by weak C-H?O hydrogen bonds.

SUBMITTER: Kant R

PROVIDER: S-EPMC3379297 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(2-Bromo-phen-yl)acetic acid.

Kant Rajni R Kapoor Kamini K Narayana B B

Acta crystallographica. Section E, Structure reports online 20120512 Pt 6

In the title mol-ecule, C(8)H(7)BrO(2), the carboxyl group is twisted by 76.2 (3)° from the benzene ring plane. In the crystal, mol-ecules are linked into inversion dimers through pairs of O-H⋯O hydrogen bonds. The dimers are further linked into layers parallel to the bc plane by weak C-H⋯O hydrogen bonds. ...[more]

PMID: 22719495

Similar Datasets

2-(3-Bromo-4-meth-oxy-phen-yl)acetic acid.

Project description:The title compound C(9)H(9)BrO(3), was synthesized by the regioselective bromination of 4-meth-oxy-phenyl-acetic acid using bromine in acetic acid in a 84% yield. In the mol-ecular structure, the meth-oxy group is almost coplanar with the phenyl ring within 0.06 Å; the acetic acid substituent is tilted by 78.15 (7)° relative to the ring. The C-C-C angles at the OMe, acetyl and Br substituents are 118.2 (2), 118.4 (2) and 121.5 (2)°, respectively, indicating that the Br atom is electron-withdrawing, whereas the other substituents possess electron-donating properties. In the crystal, the mol-ecules form centrosymmetric strongly O-H⋯O hydrogen-bonded dimers of the type R(2) (2)(8).

| S-EPMC3007027 | biostudies-literature

[4-(Methyl-sulfon-yl)phen-yl]acetic acid.

Project description:In the crystal structure of the title compound, C(9)H(10)O(4)S, centrosymmetrically related mol-ecules are linked into dimers by inter-molecular O-H⋯O hydrogen bonds. Unconventional C-H⋯O hydrogen-bond inter-actions are also present, connecting dimers into a three-dimensional network.

| S-EPMC2960061 | biostudies-literature

2-(2-Chloro-phen-yl)acetic acid.

Project description:In the title compound, C(8)H(7)ClO(2), the carboxyl group forms a dihedral angle of 74.83?(9)° with the benzene ring plane. In the crystal, mol-ecules are linked into inversion dimers by pairs of O-H?O hydrogen bonds. The dimers are linked into layers parallel to the bc plane by weak C-H?O inter-actions.

| S-EPMC3379493 | biostudies-literature

2-(2,4-Dichloro-phen-yl)acetic acid.

Project description:In the title compound, C(8)H(6)Cl(2)O(2), the dihedral angle between the C-C(=O)-OH carboxyl unit and the benzene ring is 70.70?(4)°. In the crystal, mol-ecules are linked into inversion dimers by pairs of O-H?O hydrogen bonds. The dimers are linked into chains extending along [001] by weak C-H?Cl inter-actions.

| S-EPMC2980069 | biostudies-literature

2-[(2-Carboxy-phen-yl)sulfan-yl]acetic acid.

Project description:The title compound, C(9)H(8)O(4)S, affords a zigzig chain in the crystal structure by inter-molecular O-H?O hydrogen bonds. The molecular geometry suggests that extensive but not uniform ?-electron delocalization is present in the benzene ring and extends over the exocyclic C-S and C-C bonds.

| S-EPMC2970427 | biostudies-literature

Bis(2,2'-bipyrid-yl)bromidocopper(II) bromide bromo-acetic acid hemihydrate.

Project description:In the title compound, [CuBr(C(10)H(8)N(2))(2)]Br·BrCH(2)COOH·0.5H(2)O, the Cu(II) ion is coordinated by four N atoms [Cu-N = 1.985 (6)-2.125 (7) Å] from two 2,2'-bipyridine ligand mol-ecules and a bromide anion [Cu-Br = 2.471 (2) Å] in a distorted trigonal-bipyramidal geometry. Short centroid-centroid distances [3.762 (5) and 3.867 (5) Å] between the aromatic rings of neighbouring cations suggest the existence of π-π inter-actions. Inter-molecular O-H⋯Br hydrogen bonds and weak C-H⋯O and C-H⋯Br inter-actions consolidate the crystal packing.

| S-EPMC2971989 | biostudies-literature

1-[3-(4-Nitro-phen-yl)propano-yl]urea acetic acid monosolvate.

Project description:The title compound, C(10)H(11)N(3)O(4)·C(2)H(4)O(2), was prepared by an electrochemical technique. In the crystal, acetic acid mol-ecules are involved in hydrogen bonding to two separate propano-ylurea mol-ecules, acting as a donor in an O-H?O inter-action and as an acceptor in two N-H?O inter-actions. The propano-ylurea mol-ecules inter-act with each other via N-H?O hydrogen bonds. C-H?O inter-actions also stabilize the crystal structure.

| S-EPMC3247309 | 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-(5-Bromo-3-isopropyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

Project description:The title compound, C(13)H(13)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-isopropyl-sulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxyl groups are involved in inter-molecular O-H?O hydrogen bonds, which link the mol-ecules into dimers. These dimers are further packed into stacks along the c axis by inter-molecular C-H?? inter-actions, and by slipped ?-? inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.472?(2)?Å, inter-planar distance = 3.398?(2)?Å and slippage = 0.713?(2)?Å].

| S-EPMC3254414 | biostudies-literature

2-(5-Bromo-3-methyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

Project description:The title compound, C(11)H(9)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate. In the crystal structure, the carboxyl groups are involved in inter-molecular O-H?O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. These dimers are further packed into stacks along the c axis by weak C-H?? inter-actions. In addition, the stacked mol-ecules exhibit a Br?S inter-action of 3.4787?(7)?Å.

| S-EPMC2968485 | 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