Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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).

SUBMITTER: Lima CF

PROVIDER: S-EPMC2972074 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Lima Carlos F R A C CF Gomes Ligia R LR Santos Luís M N B F LM Low John Nicolson JN

Acta crystallographica. Section E, Structure reports online 20091107 Pt 12

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). ...[more]

PMID: 21578772

Similar Datasets

4-[(2-Hydr-oxy-1-naphth-yl)methyl-idene-amino]benzoic acid.

Project description:The mol-ecule of the title compound, C(18)H(13)NO(3), is almost planar, the dihedral angle between the naphthalene and benzene ring systems being 4.04 (6)°. The mol-ecular conformation and packing are stabilized by intra-molecular O-H⋯N and inter-molecular O-H⋯O and C-H⋯O inter-actions.

| S-EPMC2960922 | biostudies-literature

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-(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

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

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

Project description: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.

| S-EPMC2969741 | 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

4-(2,5-Dihexyl-oxyphen-yl)benzoic acid.

Project description:In the title compound, C(25)H(34)O(4), one n-hexyl chain of the hex-yloxy group adopts a fully extended all-trans conformation, and the other n-hexyl chain displays disorder with site occupancies of 0.470?(3) and 0.530?(3). The dihedral angle between the benzene rings is 44.5?(3)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds form dimers via crystallographic inversion centres.

| S-EPMC2959701 | 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

2-(Acet-oxy-meth-yl)benzoic acid.

Project description:The title compound, C(10)H(10)O(4), crystallizes with the well-known carb-oxy-lic acid dimer-forming R(2) (2)(8) hydrogen-bond motif. Chains approximately parallel to (-1-12) are then built through C(methyl-ene,phen-yl)-H?O(carbon-yl) inter-actions [C(6) and C(8) motifs] with one (meth-yl)C-H?? inter-action providing inter-planar binding. The weakness of the latter inter-action is consistent with the difficulty experienced in obtaining suitable single crystals.

| S-EPMC3569790 | biostudies-literature

2-[(4-Chloro-benz-yl)carbonyl-meth-yl]benzoic acid.

Project description:The title compound, C(16)H(13)ClO(3), is an important inter-mediate in the conversion of isocoumarin to 3,4-dihydro-isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18?(3)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is also a C-H?? contact between the benzoic acid and 4-chloro-benzyl rings.

| S-EPMC2959499 | biostudies-literature

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