Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(4-Propoxybenzo-yloxy)benzoic acid.

ABSTRACT: The title compound, C(17)H(16)O(5), is an important inter-mediate for the synthesis of side-chain ligands for polymeric liquid crystals. The prop-oxy and benzoic acid groups subtend dihedral angles of 4.36?(6) and 55.35?(6)°, respectively, with the central benzo-yloxy unit. The crystal structure is stabilized by an inter-molecular O-H?O hydrogen bond.

SUBMITTER: Muhammad K

PROVIDER: S-EPMC2961752 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-(4-Propoxybenzo-yloxy)benzoic acid.

Muhammad Khushi K Khawar Rauf M M Ebihara Masahiro M Hameed Shahid S

Acta crystallographica. Section E, Structure reports online 20080613 Pt 7

The title compound, C(17)H(16)O(5), is an important inter-mediate for the synthesis of side-chain ligands for polymeric liquid crystals. The prop-oxy and benzoic acid groups subtend dihedral angles of 4.36 (6) and 55.35 (6)°, respectively, with the central benzo-yloxy unit. The crystal structure is stabilized by an inter-molecular O-H⋯O hydrogen bond. ...[more]

PMID: 21202885

Similar Datasets

2-(m-Tol-yloxy)benzoic acid.

Project description:In the crystal structure of the title compound, C(14)H(12)O(3), the mol-ecules form classical O-H?O hydrogen-bonded carb-oxy-lic acid dimers. The dihedral angle between the two rings is 80.9?(3)°.

| S-EPMC3212322 | biostudies-literature

2-(o-Tol-yloxy)benzoic acid.

Project description:In the crystal structure of the title compound, C(14)H(12)O(3), mol-ecules are linked via inter-molecular O-H?O hydrogen bonds, resulting in dimer formation. The dihedral angle between the two phenyl rings is 76.2?(2)°.

| S-EPMC3120472 | biostudies-literature

2-All-yloxy-5-nitro-benzoic acid.

Project description:The mol-ecule of the title compound, C(10)H(9)NO(5), is approximately planar, with the mean planes of the nitro, carboxyl and all-yloxy groups rotated by 8.1?(3), 7.9?(3) and 4.52?(18)°, respectively, from the plane of the benzene ring. Bond lengths in the aromatic ring are influenced by both electronic effects and strain induced by ortho-substitution. In the crystal structure, centrosymmetrically related mol-ecules are paired into dimers through strong O-H?O hydrogen bonds.

| S-EPMC2969386 | biostudies-literature

4-(4-Octyloxybenzo-yloxy)benzoic acid.

Project description:The title compound, C(22)H(26)O(5), is an important inter-mediate for the synthesis of side-chain ligands for polymeric liquid crystals. The octyl group is coplanar with the central C(6)O moiety, where the maximum deviation of a C atom in the octyl group from the C(6)O plane is 0.161?(5)?Å. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds.

| S-EPMC2968365 | biostudies-other

3,5-Bis(benz-yloxy)benzoic acid.

Project description:In the title compound, C(21)H(18)O(4), the outer benzyl rings are disordered over two resolved positions in a 0.50 ratio. The O-CH(2) groups form dihedral angles of 4.1?(2) and 10.9?(4)° with the central benzene ring, adopting a syn-anti conformation with respect to this ring. In the crystal, the mol-ecules are linked by O-H?O hydrogen bonds and weak C-H?O inter-actions, forming chains along [010].

| S-EPMC3515325 | biostudies-other

Crystal structure of (E)-4-{2-[4-(all-yloxy)phen-yl]diazen-yl}benzoic acid.

Project description:The title compound, C16H14N2O3, has an E conformation about the azo-benzene [-N=N- = 1.2481?(16)?Å] linkage. The benzene rings are almost coplanar [dihedral angle = 1.36?(7)°]. The O atoms of the carb-oxy-lic acid group are disordered over two sets of sites and were refined with an occupancy ratio of 0.5:0.5. The two disordered components of the carb-oxy-lic acid group make dihedral angles of 1.5?(14) and 3.8?(12)° with the benzene ring to which they are attached. In the crystal, mol-ecules are linked via pairs of O-H?O hydrogen bonds, forming inversion dimers. The dimers are connected via C-H?O hydrogen bonds, forming ribbons lying parallel to [120]. These ribbons are linked via C-H?? inter-actions, forming slabs parallel to (001).

| S-EPMC4257410 | 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

2,6-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

2,3-Difluoro-benzoic acid.

Project description: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.

| S-EPMC2960366 | 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 ›

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