Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-(2-Fluoro-benzyl-idene)butanoic acid.

ABSTRACT: In the crystal structure of the title compound, C(11)H(11)FO(2), the methine CH forms an intra-molecular hydrogen bond with the carboxyl- O atom. The mol-ecules form dimers through hydrogen bonding between carboxyl- groups. These dimers are linked to each other by C-H?O contacts between the benzene and carbonyl groups of adjoining mol-ecules. In addition, there are weak inter-molecular C-H?F contacts.

SUBMITTER: Niaz M

PROVIDER: S-EPMC2960906 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(E)-2-(2-Fluoro-benzyl-idene)butanoic acid.

Niaz Muhammad M Tahir M Nawaz MN Zia-Ur-Rehman Ali Saqib S Khan Islam Ullah IU

Acta crystallographica. Section E, Structure reports online 20080320 Pt 4

In the crystal structure of the title compound, C(11)H(11)FO(2), the methine CH forms an intra-molecular hydrogen bond with the carboxyl- O atom. The mol-ecules form dimers through hydrogen bonding between carboxyl- groups. These dimers are linked to each other by C-H⋯O contacts between the benzene and carbonyl groups of adjoining mol-ecules. In addition, there are weak inter-molecular C-H⋯F contacts. ...[more]

PMID: 21202123

Similar Datasets

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

Project description: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.

| S-EPMC3254514 | biostudies-literature

N'-(4-Fluoro-benzyl-idene)acetohydrazide.

Project description:The title compound, C(9)H(9)FN(2)O, was prepared by the reaction of 4-fluoro-benzophenone and acethydrazide. In the mol-ecule, all non-H atoms are essentially coplanar [r.m.s. deviation = 0.065?(2)?Å]. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of inter-molecular N-H?O hydrogen bonds.

| S-EPMC3009195 | biostudies-literature

N'-(2-Fluoro-benzyl-idene)acetohydrazide.

Project description:The title compound, C(9)H(9)FN(2)O, was prepared by the reaction between 2-fluoro-benzophenone and acetohydrazide. In the crystal structure, inversion dimers linked by pairs of N-H?O hydrogen bonds occur, generating R(2) (2)(8) loops.

| S-EPMC2984006 | biostudies-literature

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

(2E)-2-(4-Fluoro-benzyl-idene)hydrazinecarboxamide.

Project description:In the title compound, C(8)H(8)FN(3)O, the semicarbazide group is close to being planar, with a maximum deviation of 0.020?(1)?Å, and subtends a dihedral angle of 16.63?(9)° with its attached fluoro-benzene ring. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming layers lying parallel to the bc plane.

| S-EPMC3247616 | biostudies-literature

N'-(4-Fluoro-benzyl-idene)-2-(4-fluoro-phen-yl)acetohydrazide.

Project description:In the title compound, C(15)H(12)F(2)N(2)O, the dihedral angle between the two benzene rings is 48.73?(8)°. The hydrazine group is twisted slightly, with a C-N-N-C torsion angle of 172.48?(12)°. In the crystal, mol-ecules are connected by strong N-H?O and weak C-H?O hydrogen bonds, forming supra-molecular chains along the c axis. The structure is consolidated by ?-? [centroid-centroid separation = 3.6579?(10)?Å] and C-H?? inter-actions.

| S-EPMC3247574 | 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

N'-(2-Chloro-benzyl-idene)-2-fluoro-benzohydrazide.

Project description:The title hydrazone compound, C(14)H(10)ClFN(2)O, adopts an E configuration about the C=N double bond. The dihedral angle between the two substituted benzene rings is 11.6?(2)°. The F atom is disordered over two sites with occupancies of 0.488?(2) and 0.512?(2). In the crystal, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming chains along the a axis. C-H?F and C-H?O inter-actions also occur.

| S-EPMC3050234 | biostudies-literature

N'-(2,4-Dichloro-benzyl-idene)-2-fluoro-benzohydrazide.

Project description:The mol-ecule of the title compound, C(14)H(9)Cl(2)FN(2)O, exists in a trans configuration with respect to the methyl-idene unit and the benzene rings form a dihedral angle of 8.1?(2)°. In the crystal, mol-ecules are linked through N-H?O hydrogen bonds into C(4) chains propagating in [100].

| S-EPMC3051578 | biostudies-literature

N'-[(E)-2-Fluoro-benzyl-idene]benzo-hydrazide.

Project description:The asymmetric unit of the title compound, C14H11FN2O, contains two independent mol-ecules, both of which adopt the E conformation with respect to the azomethine C=N bond. The mol-ecules are non-planar, with dihedral angles of 26.92?(12) and 11.36?(11)° between the benzene and phenyl rings. In the crystal, mol-ecules are linked through N-H?O=C and N-H?N hydrogen bonds into chains along [101]. C-H?O contacts link these chains into layers parallel to (001). The three-dimensional crystal packing is stabilized by ?-? inter-actions, the shortest separation between the centroids of benzene rings being 3.884?(1)?Å.

| S-EPMC3885076 | 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