Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(3-Meth-oxy-phen-oxy)benzoic acid.

ABSTRACT: In the crystal structure of the title compound, C(14)H(12)O(4), the mol-ecules form classical O-H?O hydrogen-bonded carb-oxy-lic acid dimers. These dimers are linked by C-H?pi; inter-actions into a three-dimensional network. The benzene rings are oriented at a dihedral angle of 69.6?(3)°.

SUBMITTER: Zhang ZF

PROVIDER: S-EPMC3089338 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(3-Meth-oxy-phen-oxy)benzoic acid.

Zhang Zhi-Fang ZF

Acta crystallographica. Section E, Structure reports online 20110407 Pt 5

In the crystal structure of the title compound, C(14)H(12)O(4), the mol-ecules form classical O-H⋯O hydrogen-bonded carb-oxy-lic acid dimers. These dimers are linked by C-H⋯pi; inter-actions into a three-dimensional network. The benzene rings are oriented at a dihedral angle of 69.6 (3)°. ...[more]

PMID: 21754401

Similar Datasets

4-(5-Hy-droxy-meth-yl-2-meth-oxy-phen-oxy)benzoic acid.

Project description:The title compound, C(15)H(14)O(5), crystallizes with two independent mol-ecules in the asymmetric unit in which the benzene rings are inclined at dihedral angles of 79.4?(1) and 84.2?(1)°. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into double chains propagating in [001].

| S-EPMC3089302 | biostudies-literature

3-[2-Chloro-4-(trifluoro-meth-yl)phen-oxy]benzoic acid.

Project description:The asymmetric unit of the title compound, C(14)H(8)ClF(3)O(3), comprises two independent mol-ecules. The rings in each molecule are connected together via O-H?O hydrogen bonds to form classical hydrogen-bonded carb-oxy-lic acid dimers. The dihedral angles between the benzene rings are 80.7?(1) and 68.7?(1)°.

| S-EPMC3247442 | 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⋯π 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

4-(4-Fluoro-phen-oxy)benzoic acid.

Project description:In the title compound, C(13)H(9)FO(3), the dihedral angle between the two benzene rings is 70.99?(5)°. In the crystal structure, mol-ecules are linked into dimers by centrosymmetric O-H?O inter-actions, generating R(2) (2)(8) ring motifs. These dimers are linked into a two-dimensional array, parallel to the ab plane, by two different C-H?O inter-actions. A weak C-H?? inter-actions is also present.

| S-EPMC2977365 | biostudies-literature

2-Meth-oxy-carbonyl-6-nitro-benzoic acid.

Project description:In the title compound, C(9)H(7)NO(6), the dihedral angles between the benzene ring and its three substituents are 29.99?(8)° for the nitro, 67.09?(8)° for the carb-oxy and 32.48?(10)° for the meth-oxy-carbonyl group. In the crystal, one classical O-H?O and two nonclassical C-H?O contacts link adjacent mol-ecules, forming a three-dimensional structure.

| S-EPMC3414327 | biostudies-literature

3,5-Bis[(pyridin-4-yl)meth-oxy]benzoic acid.

Project description:Single crystals of the title compound, C19H16N2O4, were obtained under hydro-thermal conditions by an unintended recrystallization of the employed microcrystalline starting material. The [(pyridin-4-yl)meth-oxy]benzoic acid unit is nearly planar, with a maximum deviation from the least-squares plane of 0.194?(2)?Å. This plane is inclined by 35.82?(6)° to that defined by the second (pyridin-4-yl)meth-oxy group [in which the largest deviation from the least-squares plane is 0.013?(2)?Å]. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds involving the acid hy-droxy group and a pyridine N atom into chains parallel to [-201].

| S-EPMC3588300 | biostudies-literature

4,4'-Bipyridine-2-meth-oxy-benzoic acid (1/2).

Project description:The asymmetric unit of the title compound, C(10)H(8)N(2)·2C(8)H(8)O(3), contains two 2-meth-oxy-benzoic acid mol-ecules and one 4,4'-bipyridine mol-ecule. The 4,4'-bipyridine mol-ecule is disordered over two positions in a 1:1 ratio. In the crystal, the 2-meth-oxy-benzoic acid and 4,4'-bipyridine mol-ecules are connected by inter-molecular O-H?N hydrogen bonds. The dihedral angle between the carboxy group and its attached ring is 26.823?(2)°.

| S-EPMC3297321 | biostudies-literature

2-Fluoro-4-(meth-oxy-carbon-yl)benzoic acid.

Project description:In the crystal of the title compound, C(9)H(7)FO(4), classical carboxylate inversion dimers are linked by pairs of O-H⋯O hydrogen bonds. The packing is consolidated by C-H⋯F and C-H⋯O interactions. The benzene ring and the methoxycarbonyl group are nearly coplanar, with a dihedral angle of 1.5 (3)° between them, whereas the carboxyl group has a dihedral angle of 20.2 (4)° with respect to the benzene ring.

| S-EPMC3008027 | biostudies-literature

2,6-Di-bromo-3,4,5-tri-meth-oxy-benzoic acid.

Project description:The title compound, 2,6-di-bromo-3,4,5-tri-meth-oxy-benzoic acid (DBrTMBA), C10H10Br2O5, was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri-meth-oxy-benzoic acid with KBrO3. Like the previously reported 2,6-di-iodo-3,4,5-tri-meth-oxy-benzoic acid (DITMBA), the structure of the title compound features a catemeric arrangement of DBrTMBA mol-ecules along an endless chain of carb-oxy-lic H-carbonyl inter-actions. A short carbon-yl-phenyl contact hints at a possible lone pair(O)-π-hole inter-action further stabilizing the chain-like structure over a dimeric arrangement of the carb-oxy-lic acid.

| S-EPMC10561206 | biostudies-literature

Comparison of the crystal structures of methyl 4-bromo-2-(meth-oxy-meth-oxy)benzoate and 4-bromo-3-(meth-oxy-meth-oxy)benzoic acid.

Project description:The title compounds, C10H11BrO4, (I), and C9H9BrO4, (II), are derivatives of bromo-hy-droxy-benzoic acids. Compound (II) crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both (I) and (II), the O-CH2-O-CH3 side chain is not in its fully extended conformation; the O-C-O-C torsion angle is 67.3 (3) ° in (I), and -65.8 (3) and -74.1 (3)° in mol-ecules A and B, respectively, in compound (II). In the crystal of (I), mol-ecules are linked by C-H⋯O hydrogen bonds, forming C(5) chains along [010]. The chains are linked by short Br⋯O contacts [3.047 (2) Å], forming sheets parallel to the bc plane. The sheets are linked via C-H⋯π inter-actions, forming a three-dimensional architecture. In the crystal of (II), mol-ecules A and B are linked to form R 2 (2)(8) dimers via two strong O-H⋯O hydrogen bonds. These dimers are linked into ⋯A-B⋯A-B⋯A-B⋯ [C 2 (2)(15)] chains along [011] by C-H⋯O hydrogen bonds. The chains are linked by slipped parallel π-π inter-actions [inter-centroid distances = 3.6787 (18) and 3.8431 (17) Å], leading to the formation of slabs parallel to the bc plane.

| S-EPMC4910316 | 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