Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3-Difluoro-benzoic acid.

ABSTRACT: 2,3-Difluoro-benzoic acid, C(7)H(4)F(2)O(2), forms dimers that are stabilized by hydrogen bonds. The dimers are stacked and the stacks are held together by weak C-H?F and C-H?O inter-actions.

SUBMITTER: Knapik AA

PROVIDER: S-EPMC2960366 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,3-Difluoro-benzoic acid.

Knapik Aleksandra A AA Minor Wladek W Chruszcz Maksymilian M

Acta crystallographica. Section E, Structure reports online 20080118 Pt 2

2,3-Difluoro-benzoic acid, C(7)H(4)F(2)O(2), forms dimers that are stabilized by hydrogen bonds. The dimers are stacked and the stacks are held together by weak C-H⋯F and C-H⋯O inter-actions. ...[more]

PMID: 21201492

Similar Datasets

2,6-Difluoro-benzoic acid.

Project description:In the title compound, C(7)H(4)F(2)O(2), the dihedral angle between the benzene ring and the carboxyl-ate group is 33.70?(14)°. In the crystal structure, inversion dimers linked by pairs of O-H?O hydro-gren bonds occur, generating R(2) (2)(8) loops. The dimers are linked into sheets lying parallel to (102) by C-H?F hydrogen bonds.

| S-EPMC3007258 | biostudies-literature

2-[N-(2,4-Difluoro-phen-yl)carbamo-yl]-3,4,5,6-tetra-fluoro-benzoic acid.

Project description:The title compound, C(14)H(5)F(6)NO(3), was synthesized by condensation of tetra-fluoro-phthalic anhydride and 2,4-difluoro-aniline. It was then recrystallized from hexane to give a nonmerohedral twin with two crystallographically unique mol-ecules in the asymmetric unit. The refined twin fraction is 0.460?(3). Torsional differences between the aryl rings and the central amide group account for the presence of two unique mol-ecules. The compound packs as double tapes formed by O-H?O and N-H?O hydrogen-bonding inter-actions between each unique mol-ecule and its symmetry equivalents.

| S-EPMC2971039 | biostudies-literature

2-Chloro-6-(2,3-di-chloro-benzene-sulfonamido)-benzoic acid.

Project description:In the title compound, C13H8Cl3NO4S, the aromatic rings are oriented at a dihedral angle of 68.94 (1)° and the mol-ecule adopts a V-shape. An intra-molecular N-H⋯O inter-action generates a six-membered S(6) ring motif. In the crystal, pairs of O-H⋯O hydrogen bonds involving the carb-oxy group link the mol-ecules into inversion dimers with an R 2 (2)(8) motif. N-H⋯O and non-classical C-H⋯O inter-actions connect the mol-ecules, forming sheets propagating in (100).

| S-EPMC3684920 | biostudies-literature

2,3-Diamino-pyridinium benzoate benzoic acid solvate.

Project description:In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(2) (-)·C(7)H(6)O(2), the carboxyl and carboxyl-ate groups are twisted away from their attached benzene rings by 10.75?(7) and 20.33?(6)°, respectively. In the crystal structure, the 2,3-diamino-pyridinium cations, benzoate anions and benzoic acid mol-ecules are linked into a two-dimensional network parallel to (001) by O-H?O, N-H?O and C-H?O hydrogen bonds and ?-? inter-actions between the pyridinium rings [centroid-centroid distance = 3.4981?(7)?Å].

| S-EPMC2979855 | biostudies-other

2,3-Diamino-pyridinium 3-chloro-benzo-ate-3-chloro-benzoic acid (1/1).

Project description:The asymmetric unit of the title compound, C(5)H(8)N(3) (+)·C(7)H(4)ClO(2) (-)·C(7)H(5)ClO(2), contains an ion pair and a 3-chloro-benzoic acid mol-ecule. In the cation, the pyridine N atom is protonated. In the crystal, the components are connected via N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, thereby forming sheets lying parallel to (100).

| S-EPMC3239122 | biostudies-literature

2,3-Difluoro-N-(2-pyrid-yl)benzamide.

Project description:The title compound, C(12)H(8)F(2)N(2)O, crystallizes with two independent mol-ecules in the asymmetric unit. The independent mol-ecules differ slightly in conformation; the dihedral angles between the benzene and pyridine rings are 51.58 (5) and 49.97 (4)°. In the crystal structure, mol-ecules aggregate via N-H⋯N(pyridine) inter-actions as hydrogen-bonded dimers with the structural motif R(2) (2)(8), and these dimers are linked via C-H⋯O inter-actions to form a supra-molecular chain.

| S-EPMC2959868 | biostudies-literature

3-Amino-benzoic acid-4-nitro-benzoic acid (1/1).

Project description:In the title 1:1 adduct, C(7)H(5)NO(4)·C(7)H(7)NO(2), the nitro group of the 4-nitro benzoic acid is twisted from the attached ring by 4.40 (8)°. In the crystal, the mol-ecules are linked into ribbon-like structures along [150] and [10] via O-H⋯O, N-H⋯O, N-H⋯N and C-H⋯O inter-molecular hydrogen bonds.

| S-EPMC2960102 | biostudies-literature

(2,3-Difluoro-phen-yl)(4-tosyl-piperazin-1-yl)methanone.

Project description:In the title compound, C(18)H(18)F(2)N(2)O(3)S, the piperazine ring adopts a chair conformation. The dihedral angle between the sulfonyl-bound benzene ring and the best fit plane throught the six non-H atoms of the piperazine ring is 69.4?(2)°, while those between the fluoro-benzene and sulfonyl rings and the fluoro-benzene and piperazine rings are 30.97?(2) and 75.98?(2)°, respectively. In the crystal, mol-ecules are connected to form a tetra-meric unit through C-H?O hydrogen bonds. The structure is further stabilized by weak inter-molecular C-H?F inter-actions, generating C(8) and C(7) chains running along [100].

| S-EPMC3569247 | biostudies-literature

2,4-Difluoro-phenyl-boronic acid.

Project description:The mol-ecular structure of the title compound, C(6)H(5)BF(2)O(2), is essentially planar (mean deviation = 0.019?Å), indicating electronic delocalization between the dihydroxy-boryl group and the aromatic ring. In the crystal structure, inversion dimers linked by two O-H?O hydrogen bonds arise. An intra-molecular O-H?F hydrogen bond reinforces the conformation and the same H atom is also involved in an inter-molecular O-H?F link, leading to mol-ecular sheets in the crystal.

| S-EPMC2967960 | biostudies-literature

2,4,6-Trifluoro-benzoic acid.

Project description:In the title compound, C(7)H(3)F(3)O(2), the C-C-C angles in the ring are greater than 120° for F-bonded C atoms [123.69 (13), 123.88 (12) and 123.66 (12)°]. In the crystal, inter-molecular O-H⋯O hydrogen bonds between carboxyl groups give rise to the formation of a centrosymmetric dimer, while dispersive F⋯O contacts [2.8849 (16) Å] connect the dimers into infinite strands along the a axis.

| S-EPMC3051684 | 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