Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(4-Pyrid-yl)benzoic acid.

ABSTRACT: The mol-ecule of the title compound, C(12)H(9)NO(2), is not planar, the benzene and pyridine rings making a dihedral angle of 32.14?(7)°. The carb-oxy group is slightly twisted with respect to the benzene ring by 11.95?(10)°. In the crystal structure, inter-molecular O-H?N hydrogen bonds link neighboring mol-ecules into infinite chains along the c axis.

SUBMITTER: Xing J

PROVIDER: S-EPMC2969741 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(4-Pyrid-yl)benzoic acid.

Xing Jianxin J

Acta crystallographica. Section E, Structure reports online 20090514 Pt 6

The mol-ecule of the title compound, C(12)H(9)NO(2), is not planar, the benzene and pyridine rings making a dihedral angle of 32.14 (7)°. The carb-oxy group is slightly twisted with respect to the benzene ring by 11.95 (10)°. In the crystal structure, inter-molecular O-H⋯N hydrogen bonds link neighboring mol-ecules into infinite chains along the c axis. ...[more]

PMID: 21583106

Similar Datasets

3-{[4-(4-Pyrid-yl)pyrimidin-2-yl]sulfanylmeth-yl}benzoic acid.

Project description:The title compound, C(17)H(13)N(3)O(2)S, was prepared by reaction of 4-(4-pyrid-yl)pyrimidine-2-thiol with 3-(bromo-meth-yl)benzoic acid under basic conditions. Each pair of mol-ecules is mutually linked via O-H⋯N hydrogen bonds, forming a dimer. The packing of the dimers is stablized by C-H⋯π inter-actions involving the methyl-ene unit of the -CH(2)S- linkage and benzene rings.

| S-EPMC2959815 | biostudies-literature

4-Amino-3-methyl-benzoic acid-1,2-bis-(4-pyrid-yl)ethane (1/1).

Project description:In the crystal structure of the title 1:1 adduct, C(12)H(12)N(2)·C(8)H(9)NO(2), the 4-amino-3-methyl-benzoic acid mol-ecules and 1,2-bis-(4-pyrid-yl)ethane mol-ecules are linked by inter-molecular O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds, forming a two-dimensional supra-molecular network parallel to (001). In the 1,2-bis-(4-pyrid-yl)ethane mol-ecule, the two pyridine rings are twisted to each other by a dihedral angle of 12.12 (8)°. The non-H atoms of the 4-amino-3-methyl-benzoic acid mol-ecule are almost coplanar, the maximum atomic deviation being 0.029 (1) Å. Weak C-H⋯π inter-actions are present in the crystal structure.

| S-EPMC3052056 | biostudies-literature

4-Amino-benzoic acid-1,2-bis-(4-pyrid-yl)ethane (2/1).

Project description:In the title compound, C(12)H(12)N(2)·2C(7)H(7)NO(2), the 4-amino-benzoic acid mol-ecules are linked by O-H?N hydrogen bonds to 1,2-bis-(4-pyrid-yl)ethane, forming linear hydrogen bonded chains parallel to [21]. The structure exhibits a hydrogen-bonding network involving COOH?N(pyrid-yl) and amine and carb-oxy-lic N-H? O inter-actions. In addition, ?-? stacking inter-actions [centroid-centroid distance = 3.8622?(14)?Å] are also present.

| S-EPMC3006685 | biostudies-other

3-Amino-benzoic acid-1,2-bis-(4-pyrid-yl)ethane (1/1).

Project description:The asymmetric unit of the title compound, C(12)H(12)N(2)·C(7)H(7)NO(2), contains two 3-amino-benzoic acid mol-ecules and two 1,2-bis-(4-pyrid-yl)ethane mol-ecules. In the two 1,2-bis-(4-pyrid-yl)ethane mol-ecules, the dihedral angles between the pyridyl rings are 2.99?(9) and 46.78?(8)°. In the crystal, the mol-ecules associate through amine and carboxyl group N-H?O=C inter-actions between one of the 3-amino-benzoic acid mol-ecules and one of the 1,2-bis-(4-pyrid-yl)ethane mol-ecules, generating R(2) (2)(14) dimers, which are extended head-to-tail via amine and pyridine N-H?N hydrogen bonds. Inter-molecular O-H?N, N-H?O, N-H?N and C-H?O hydrogen bonding are observed in the crystal structure. C-H?? and ?-? stacking inter-actions [centroid-centroid distance = 3.9985?(10)?Å] are also present.

| S-EPMC2979085 | biostudies-other

2-(Dibromo-meth-yl)benzoic acid.

Project description:In the crystal structure of the title compound, C(8)H(6)Br(2)O(2), the carboxyl groups are involved in pairs of O-H?O hydrogen bonds, which link the mol-ecules into inversion dimers.

| S-EPMC3254456 | biostudies-literature

4-(1-Naphth-yl)benzoic acid.

Project description:In the title mol-ecule, C(17)H(12)O(2), the dihedral angle between the mean plane of the benzene ring and that of the naphthalene ring system is 49.09?(6)°. In the crystal structure, mol-ecules are linked to form centrosymmetric dimers via inter-molecular O-H?O hydrogen bonds. The hydr-oxy H atom is disordered over two sites with refined occupancies of 0.62?(3) and 0.38?(3).

| S-EPMC2972074 | biostudies-literature

4-(Imidazol-1-yl)benzoic acid.

Project description:In the title mol-ecule, C(10)H(8)N(2)O(2), the imidazole and benzene rings form a dihedral angle of 14.5 (1)°. In the crystal, inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into chains extending in [01], which are further linked into sheets parallel to (102) through weak C-H⋯O inter-actions.

| S-EPMC3051558 | biostudies-literature

4-(Diphenyl-phosphino-yl)benzoic acid.

Project description:Mol-ecules of the title compound, C(19)H(15)O(3)P, are connected by O-H⋯O hydrogen bonds between the carboxylic acid OH group and the phosphinoyl O atom, forming chains running along the crystallographic b axis.

| S-EPMC2959504 | biostudies-literature

2-[(1-Oxidopyridin-4-yl)sulfan-yl]benzoic acid.

Project description:In the title compound, C12H9NO3S, the dihedral angle between the pyridine and benzene rings is 83.93?(7)°. In the crystal, pairs of O-H?O hydrogen bonds link the molecules, forming inversion dimers with graph-set notation R 2 (2)(22). These dimers are in turn linked by weak C-H?O hydrogen bonds along [100], forming R 2 (2)(8) rings.

| S-EPMC4051023 | biostudies-literature

2,6-Bis(trifluoro-meth-yl)benzoic acid.

Project description:The title compound, C(9)H(4)F(6)O(2), contains two mol-ecules in the asymmetric unit, one of which exhibits disorder in both of its trifluoro-methyl groups. The dihedral angles between the benzene ring and the carboxyl group are 71.5 (2) and 99.3 (2)° in the two independent mol-ecules. The compound exhibits a catemeric structure resulting from inter-molecular O-H⋯O hydrogen bonding between the carboxyl groups.

| S-EPMC2969748 | 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