Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]benzohydrazide monohydrate.

ABSTRACT: The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The mol-ecule is close to planar with a maximum deviation of 0.286?(2)?Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02?(3)°] and the phenyl ring exhibits a dihedral angle of 14.41?(10)° with respect to the central unit. The crystal structure features O-H?N, N-H?O and O-H?O hydrogen-bond inter-actions between the solvent water and the benzohydrazide mol-ecules, as well as C-H?O hydrogen bonds and C-F?? [3.0833?(18)?Å] inter-actions.

SUBMITTER: Nair Y

PROVIDER: S-EPMC3435726 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]benzohydrazide monohydrate.

Nair Yamuna Y Sithambaresan M M Kurup M R Prathapachandra MR

Acta crystallographica. Section E, Structure reports online 20120815 Pt 9

The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The mol-ecule is close to planar with a maximum deviation of 0.286 (2) Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02 (3)°] and the phenyl ring exhibits a dihedral angle of 14.41 (10)° with respect to the central unit. The crystal structure features O-H⋯N, N-H⋯O and O-H⋯O hydrogen-bond inter-actions between the solvent wat ...[more]

PMID: 22969597

Similar Datasets

(E)-4-Meth-oxy-N'-[(pyridin-4-yl)methyl-idene]benzohydrazide monohydrate.

Project description:In the title compound, C(14)H(13)N(3)O(2)·H(2)O, the azomethine double bond adopts an E conformation and the N-N=C-C torsion angle is 178.37?(19)°. The dihedral angle between the benzene and pyridine rings is 5.58?(12)° and the C atom of the meth-oxy group is roughly coplanar with its attached ring [deviation = 0.157?(3)?Å]. In the crystal, the components are linked by O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds, forming (001) sheets. The water O atom accepts one N-H?O and two C-H?O inter-actions from the adjacent organic mol-ecule.

| S-EPMC3435810 | biostudies-other

2-Fluoro-N'-[(2-meth-oxy-naphthalen-1-yl)methyl-idene]benzohydrazide.

Project description:The asymmetric unit of the title compound, C(19)H(15)FN(2)O(2), contains two mol-ecules, A and B, in which the dihedral angles between the ring systems are 46.4?(2) and 17.24?(14)°, respectively. In the crystal, mol-ecules are linked into [010] chains of alternating A and B species by N-H?O hydrogen bonds.

| S-EPMC3344106 | biostudies-literature

{S-Benzyl 3-[(6-methyl-pyridin-2-yl)-methyl-idene]dithio-carbazato}nickel(II) monohydrate.

Project description:The structure of the title compound, [Ni(C(15)H(14)N(3)S(2))(2)]·H(2)O, has one mol-ecule in the asymmetric unit, along with a solvent water mol-ecule. The two different Schiff base moieties coordinate to the central Ni(II) ion as tridentate N,N',S-chelating ligands, creating a six-coordinate distorted octa-hedral environment [the smallest angle being 77.43?(7)° and the widest angle being 169.99?(7)°]. The mean planes of the two ligands are nearly orthogonal to each other with an angle of 89.53?(6)°. The packing of the complex is supported by O-H?N and O-H?S hydrogen bonding between the solvent water mol-ecule and the uncoordinated N and S atoms of neighbouring ligands.

| S-EPMC3297266 | biostudies-literature

N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]pyridine-3-carbohydrazide dihydrate.

Project description:The organic molecule in the title dihydrate, C12H9FN4O·2H2O, exists in the E conformation with respect to the azo-methane C=N double bond. The mol-ecule is approximately planar, with a maximum deviation of 0.117?(1)?Å for the carbonyl O atom from the mean plane of the mol-ecule. Both pyridine rings are essentially coplanar with the central C(=O)N2C unit [dihedral angles = 1.99?(7) and 5.71?(8)°], exhibiting a significant difference in dihedral angles from its benzohydrazide analogue. The crystal packing features N-H?O, O-H?N and O-H?O hydrogen-bond inter-actions, which lead to the formation of a chain along the c-axis direction through one of the water mol-ecules present, and these chains are stacked one over the other by means of ?-? inter-actions [with centroid-centroid distances of 3.7099?(10) and 3.6322?(10)?Å] between the aromatic rings in neighbouring anti-parallel mol-ecules, building a three-dimensional supra-molecular network.

| S-EPMC3998601 | biostudies-literature

N'-[(Z)-4-Methyl-benzyl-idene]-4-nitro-benzohydrazide monohydrate.

Project description:In the title compound, C(15)H(13)N(3)O(3)·H(2)O, the two benzene rings form a dihedral angle of 2.03?(2)°. In the crystal structure, adjacent hydrazide mol-ecules are linked into dimers by water mol-ecules; these dimers are then stacked along the b axis. Inter-molecular O-H?O, O-H?N and C-H?O hydrogen bonds and a ?-? stacking inter-action between the nitro-benzene and tolyl rings with a centroid-centroid distance of 3.8208?(3)?Å are observed. There is also a short O?N contact [2.6824?(7)?Å].

| S-EPMC2960119 | biostudies-literature

2-Nitro-N'-[1-(pyridin-2-yl)ethyl-idene]benzohydrazide.

Project description:In the title compound, C(14)H(12)N(4)O(3), the dihedral angle between the benzene ring and the pyridine ring is 60.9 (2)°. The major twist in the mol-ecule occurs about the (NH)-(CO)-C(ar)-C(ar) (ar = aromatic) bond, the relevant torsion angle being 63.97 (12)°. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3238998 | biostudies-literature

N'-[Bis(benzyl-sulfan-yl)methyl-idene]benzohydrazide.

Project description:In the title hydrazonodithio-ate, C(21)H(19)N(3)OS(2), the amide group is twisted out of the plane through the S(2)C=N atoms: the C-N-N-C torsion angle is 139.71?(13)°. The pyridine ring forms dihedral angles of 52.96?(8) and 86.46?(8)° with the phenyl rings, and the latter are approximately orthogonal [dihedral angle = 76.42?(9)°]. Supra-molecular chains sustained by N-H?O hydrogen bonds and propagated by glide symmetry along the c axis are found in the crystal structure. The chains are consolidated into a three-dimensional architecture by C-H?O and C-H?N inter-actions.

| S-EPMC3379243 | biostudies-literature

N'-[(2-Methoxynaphthalen-1-yl)methyl-idene]-4-methyl-benzohydrazide.

Project description:In the title compound, C(20)H(18)N(2)O(2), the mean planes of the naphthyl system and the benzene ring form a dihedral angle of 88.48?(10)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into C(4) chains, which propagate along the b-axis direction.

| S-EPMC3247494 | biostudies-literature

N'-[(E)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]benzohydrazide.

Project description:In the title compound, C(13)H(13)N(3)O, the phenyl and pyrrole rings are inclined at 47.45?(8)°. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds form R(2) (1)(6) ring motifs. Mol-ecules connected through these hydrogen bonds are arranged into polymeric chains extending along the c axis.

| S-EPMC3007219 | biostudies-literature

Bis{2-[(pyridin-2-yl)methyl-idene-amino]-benzoato-?(3) N,N',O}chromium(III) nitrate monohydrate.

Project description:The title complex salt hydrate, [Cr(C13H9N2O2)2]NO3·H2O, comprises discrete cations, nitrate anions and solvent water mol-ecules. The Cr(III) atom is octa-hedrally coordinated by two anionic Schiff base ligands with the O atoms being cis. The two ligands differ significantly with dihedral angles between the pyridine and benzene rings of 4.8?(2) and 24.9?(2)°. The nitrate anion and solvent water mol-ecule were modelled as being disordered, with the major components having site-occupancy values of 0.856?(14) and 0.727?(16), respectively. The crystal is built of alternating layers of cations and of anions plus water mol-ecules, stacked along the c axis.

| S-EPMC3998614 | 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