Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-[(E)-(4-Fluoro-benzyl-idene)amino]-benzoic acid.

ABSTRACT: In the title compound, C(14)H(10)FNO(2), the benzene rings make a dihedral angle of 57.50?(13)°, and the molecule has an E configuration about the C=N bond. In the crystal, molecules are linked via pairs of O-H?O hydrogen bonds, forming inversion dimers.

SUBMITTER: Munoz-Flores BM

PROVIDER: S-EPMC3254514 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-[(E)-(4-Fluoro-benzyl-idene)amino]-benzoic acid.

Muñoz-Flores Blanca M BM Pérez Víctor M Jiménez VM Santillan Rosa L RL Ochoa Maria Eugenia ME Waksman Noemi N

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

In the title compound, C(14)H(10)FNO(2), the benzene rings make a dihedral angle of 57.50 (13)°, and the molecule has an E configuration about the C=N bond. In the crystal, molecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers. ...[more]

PMID: 22259459

Similar Datasets

5-[(E)-(2-Fluoro-benzyl-idene)amino]-2-hy-droxy-benzoic acid.

Project description:In the title compound, C(14)H(10)FNO(3), the dihedral angle between the two benzene rings is 32.66?(14)°. An S(6) ring motif is formed due to an intra-molecular O-H?O hydrogen bond between the hy-droxy and carbonyl groups. In the crystal, mol-ecules are consolidated into dimers with R(2) (2)(8) ring motifs by pairs of O-H?O hydrogen bonds.

| S-EPMC3200747 | biostudies-literature

(E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzoic acid.

Project description:In the title compound, C(18)H(20)N(2)O(3), a potential bidentate N,O-donor Schiff base ligand, the benzene rings are inclined at an angle of 12.25 (19)°. The mol-ecule has an E conformation about the C=N bond. One of the ethyl groups is disordered over two positions, with a refined site-occupancy ratio of 0.55 (1):0.45 (1). An intra-molecular O-H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O-H⋯O hydrogen bonds link mol-ecules, forming inversion dimers with R(2) (2)(8) ring motifs.

| S-EPMC3343998 | biostudies-literature

5-[(E)-(2,6-Dichloro-benzyl-idene)amino]-2-hy-droxy-benzoic acid.

Project description:There are two geometrically different mol-ecules in the asymmetric unit of the title compound, C(14)H(9)Cl(2)NO(3). The 5-amino-2-hy-droxy-benzoic acid units [r.m.s. deviations of 0.0323 and 0.0414?Å] and 2,6-dichloro-benzaldehyde groups [r.m.s. deviations of 0.0285 and 0.0226?Å] are roughly planar and oriented at dihedral angles of 11.69?(13) and 83.12?(6)° in the two mol-ecules. An intra-molecular O-H?O hydrogen bond completes an S(6) ring motif in each mol-ecule. The two mol-ecules form dimers with each other through inter-molecular O-H?N and C-H?O hydrogen bonds, completing an R(2) (2)(8) ring motif. The dimers are inter-linked via inter-molecular O-H?N and C-H?O hydrogen bonds, forming polymeric sheets.

| S-EPMC3009312 | biostudies-literature

(E)-3-[(2-Hy-droxy-3-meth-oxy-benzyl-idene)amino]-benzoic acid.

Project description:In the title compound, C(15)H(13)NO(4), the dihedral angle between the substituted benzene rings is 9.9?(8)°. Part of the mol-ecule (the salicylaldimine segment) is disordered over two sets of sites, with a refined site-occupancy ratio of 0.550?(14):0.450?(14). Intra-molecular O-H?N hydrogen bonds form S(6) ring motifs. In the crystal, pairs of O-H?O hydrogen bonds link mol-ecules into centrosymmetric dimers with R(2) (2)(8) ring motifs. The crystal packing also features C-H?? inter-actions.

| S-EPMC3344025 | biostudies-literature

(E)-3-[(3-Eth-oxy-2-hy-droxy-benzyl-idene)amino]-benzoic acid.

Project description:In the title compound, C(16)H(15)NO(4), a potential bidentate N,O-donor Schiff base ligand, the benzene rings are inclined to one another by 4.24 (12)°. The mol-ecule has an E conformation about the C=N bond. An intra-molecular O-H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O-H⋯O hydrogen bonds link the mol-ecules, forming inversion dimers with R(2) (2)(8) ring motifs. These dimers are further connected by C-H⋯O inter-actions, forming a sheet in (104). There is also a C-H⋯π inter-action present involving neighbouring mol-ecules.

| S-EPMC3343997 | biostudies-literature

2-Amino-5-fluoro-benzoic acid.

Project description:In the title compound, C7H6FNO2, the mol-ecule is almost planar (r.m.s. deviation for the non-H atoms = 0.015?Å) and an intra-molecular N-H?O hydrogen bond closes an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R2(2)(8) loops. Weak N-H?F hydrogen bonds, short F?F contacts [2.763?(2)?Å] and aromatic ?-? stacking inter-actions [centroid-centroid separation = 3.5570?(11)?Å] are also observed in the crystal structure.

| S-EPMC3588531 | biostudies-literature

4-[(E)-(4-Fluoro-benzyl-idene)amino]-phenol.

Project description:In the title compound, C(13)H(10)FNO, the dihedral angle between the aromatic rings is 55.60?(8)°. In the crystal, mol-ecules are linked by O-H-N hydrogen bonds, forming zigzag C(7) chains propagating in [101].

| S-EPMC3152012 | biostudies-literature

3-[(E)-(2,4-Dichloro-pbenzyl-idene)amino]-benzoic acid.

Project description:In the crystal of the title compound, C(14)H(9)Cl(2)NO(2), inversion-related dimers with R(2) (2)(8) ring motifs are formed by inter-molecular O-H?O hydrogen bonding. The 3-amino-benzoic acid group and the 2,4-dichlobenzaldehyde moiety subtend a dihedral angle of 55.10?(2)°. The H atom of the carboxyl group is disordered over two sites with equal occupancies.

| S-EPMC3050322 | biostudies-literature

2-Amino-3,4,5,6-tetra-fluoro-benzoic acid.

Project description:The asymmetric unit of the title compound, C(7)H(3)F(4)NO(2), obtained as an inter-mediate in the synthesis of a coupling reagent, contains four independent and conformationally similar mol-ecules. The amine H atoms form both intra-molecular and inter-molecular N-H?O(carbox-yl) hydrogen bonds which, together with inter-molecular O-H?O(carbox-yl) hydrogen bonds and N-H?F associations form ribbon structures along the a axis.

| S-EPMC3151811 | biostudies-other

catena-Poly[1-[(2-fluoro-benzyl-idene)amino]-quinolinium [plumbate(II)-tri-?-iodido]].

Project description:The title complex, {(C(16)H(12)FN(2))[PbI(3)]}(n), consists of 1-[(2-fluoro-benzyl-idene)amino]-quinolinium cations and a polymeric PbI(3) (-) anion formed by face-sharing PbI(6) octa-hedra. These octa-hedra form straight and regular infinite chains along the b axis. In the asymmetric unit, one cation and one anionic [PbI(3)](-) fragment are observed in general positions. Polymeric chains are produced by the glide plane perpendicular to the a axis.

| S-EPMC3254297 | 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