Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Fluoro-isophthalic acid.

ABSTRACT: In the crystal structure of the title compound, C(8)H(5)FO(4), the complete molecule is generated by crystallographic twofold symmetry with two C atoms and the F atom lying on the axis. The mol-ecule is almost planar with the carboxyl group twisted with respect to the mean plane of the benzene ring by a dihedral angle of 2.01?(1)°. In the crystal, inter-molecular O-H?O hydrogen bonds and C-H?F inter-actions connect the mol-ecules into a two-dimensional supra-molecular array.

SUBMITTER: Mi JL

PROVIDER: S-EPMC3052173 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-Fluoro-isophthalic acid.

Mi Jin-Ling JL Chen Le L He Ming-Yang MY

Acta crystallographica. Section E, Structure reports online 20110209 Pt 3

In the crystal structure of the title compound, C(8)H(5)FO(4), the complete molecule is generated by crystallographic twofold symmetry with two C atoms and the F atom lying on the axis. The mol-ecule is almost planar with the carboxyl group twisted with respect to the mean plane of the benzene ring by a dihedral angle of 2.01 (1)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds and C-H⋯F inter-actions connect the mol-ecules into a two-dimensional supra-molecular array. ...[more]

PMID: 21522351

Similar Datasets

4,4'-Bipyridine-5-fluoro-isophthalic acid (1/1).

Project description:Co-crystallization of 5-fluoro-isophthalic acid (H(2)fip) with 4,4'-bipyridine (bipy) leads to the formation of the title compound [(H(2)fip)(bipy)], C(8)H(5)FO(4)·C(10)H(8)N(2), with an acid-base molar ratio of 1:1. The acid and base subunits are arrange alternately in the crystal structure, displaying a wave-like tape motif via inter-molecular O-H⋯N and C-H⋯O hydrogen bonds [carbox-yl-pyridine synthon of R(2) (2)(7) hydrogen-bond notation], which are further combined into a two-dimensional architecture through C-H⋯F inter-actions involving the bipy and H(2)fip mol-ecules.

| S-EPMC3052053 | biostudies-literature

4-Nitro-isophthalic acid.

Project description:In the crystal structure of the title compound, C(8)H(5)NO(6), both carboxyl groups are involved in inter-molecular centrosymmetric cyclic O-H?O hydrogen-bonding associations, which give a zigzag chain structure extending along (2[Formula: see text]1). Weak ?-? stacking inter-actions are also present [minimum ring centroid separation = 3.893?(4)?Å].

| S-EPMC3254540 | biostudies-literature

5-(Pyridin-4-yl)isophthalic acid.

Project description:In the title compound, C(13)H(9)NO(4), the two carb-oxy-lic groups and the benzene ring are approximately co-planar with a maximum atomic deviation 0.175?(4)?Å, while the pyridine ring is oriented at a dihedral angle of 31.07?(18)° with respect to the benzene ring. In the crystal, mol-ecules are linked by O-H?O, O-H?N and weak C-H?O hydrogen bonds, forming a three-dimensional supra-molecular framework.

| S-EPMC3009156 | biostudies-literature

Coordination polymers of 5-substituted isophthalic acid.

Project description:The synthesis and characterisation of five coordination polymers - Ni2(mip)2(H2O)8·2H2O (1), Zn6(mip)5(OH)2(H2O)4·7.4H2O (2), Zn6(mip)5(OH)2(H2O)2·4H2O (3), Mn(HMeOip)2 (4), and Mn3(tbip)2(Htbip)2(EtOH)2 (5) - are reported. Preliminary nitric oxide release data on compounds 2 and 3 are also given.

| S-EPMC4786948 | biostudies-literature

4,6-Dibromo-isophthalic acid monohydrate.

Project description:In the crystal structure of the title hydrate, C(8)H(4)Br(2)O(4)·H(2)O, O-H?O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (10-2). The acid groups of the main mol-ecule and the water mol-ecule are all involved in the supra-molecular structure. The dihedral angles between the benzene ring and the acid groups are 37.8?(4) and 36.4?(5)°, while the dihedral angle between the acid groups is 10.9?(4)°.

| S-EPMC3435670 | biostudies-other

Di-4-pyridyl sulfide-isophthalic acid (1/1).

Project description:In the heteromolecular title structure, C(10)H(8)N(2)S·C(8)H(6)O(4), the two components are linked by O-H⋯N hydrogen bonds to form a one-dimensional chain. These chains are further inter-connected by weak inter-molecular C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions to generate a three-dimensional supra-molecular structure.

| S-EPMC2960055 | biostudies-literature

Di-4-pyridyl disulfide-isophthalic acid (1/1).

Project description:In the title 1:1 cocrystal, C(10)H(8)N(2)S(2)·C(8)H(6)O(4), the asymmetric unit contains an isophthalic acid mol-ecule and a 4,4'-dipyridyl disulfide mol-ecule. The two carboxyl groups of isophthalic acid inter-act with neighbouring 4,4'-dipyridyl disulfide mol-ecules through O-H⋯N hydrogen bonds, forming a one-dimensional zigzag chain. Neighbouring chains are linked to each other via π-π stacking inter-actions between the pyridyl rings of adjacent 4,4'-dipyridyl disulfide mol-ecules [centroid-centroid distance = 3.7346 (6) Å], resulting in a layered motif. The dihedral angle between pyridine rings of 84.13 (7)° and the C-S-S-C torsion angle of 91.95 (1)° confirm the gauche conformation of 4,4'-dipyridyl disulfide.

| S-EPMC2977736 | biostudies-literature

5-Amino-2,4,6-triiodo-isophthalic acid monohydrate.

Project description:The title compound, C(8)H(4)I(3)NO(4)·H(2)O, shows an extensive hydrogen-bond network; in the crystal structure, mol-ecules are linked by O-H?O, N-H?O and O-H?N hydrogen bonds involving all possible donors and also the water mol-ecule.

| S-EPMC2961876 | biostudies-other

5-(Naphthalen-1-yl)isophthalic acid-dimethyl sulfoxide-water (2/1/2).

Project description:The asymmetric unit of the title compound, 2C18H12O4·C2H6OS·2H2O, consists of four crystallographically independent mol-ecules of 5-(naphthalen-1-yl)isophthalic acid, two dimethyl sulfoxide and four water mol-ecules. The dihedral angles formed by the the planes of the aromatic fragments of the organic mol-ecules range from 57.4?(1) to 59.1?(1)°. In the crystal, multiple O-H?O hydrogen bonds link the water mol-ecules with the carbonyl and sulfoxide groups, giving rise to double ribbons along the b-axis direction.

| S-EPMC3685065 | biostudies-literature

Crystal structure of 5-[(4-carb-oxy-benz-yl)-oxy]isophthalic acid.

Project description:The mol-ecular shape of the title compound, C16H12O7, is bent around the central CH2-O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78?(7)°. In the crystal, each mol-ecule is linked to three others by three pairs of O-H?O hydrogen bonds, forming undulating sheets parallel to the bc plane and enclosing R 2 (2)(8) ring motifs. The sheets are linked by C-H?O hydrogen bonds and C-H?? inter-actions, forming a three-dimensional network.

| S-EPMC4971877 | 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