Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-{(E)-[2-(Pyridin-3-ylcarbon-yl)hydrazinyl-idene]meth-yl}phenyl acetate.

ABSTRACT: The title compound, C15H13N3O3, exists in the E conformation with respect to the azo-methane C=N double bond. The pyridyl and phenyl rings form dihedral angles of 35.67?(8) and 36.65?(7)°, respectively with the central C(=O)N2C unit. In the crystal, N-H?O and C-H?O hydrogen bonds connect the mol-ecules into chains along the b axis. Another C-H?O inter-action connects mol-ecules along the c-axis direction, forming layers.

SUBMITTER: Datta R

PROVIDER: S-EPMC3790414 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-{(E)-[2-(Pyridin-3-ylcarbon-yl)hydrazinyl-idene]meth-yl}phenyl acetate.

Datta Riya R Ramya V V Sithambaresan M M Kurup M R Prathapachandra MR

Acta crystallographica. Section E, Structure reports online 20130918 Pt 10

The title compound, C15H13N3O3, exists in the E conformation with respect to the azo-methane C=N double bond. The pyridyl and phenyl rings form dihedral angles of 35.67 (8) and 36.65 (7)°, respectively with the central C(=O)N2C unit. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds connect the mol-ecules into chains along the b axis. Another C-H⋯O inter-action connects mol-ecules along the c-axis direction, forming layers. ...[more]

PMID: 24098233

Similar Datasets

Crystal structure of 4-{(E)-[2-(pyridin-4-ylcarbon-yl)hydrazin-1-yl-idene]meth-yl}phenyl acetate monohydrate.

Project description:The asymmetric unit of the title compound, C15H13N3O3·H2O, comprises a 4-{(E)-[2-(pyridin-4-ylcarbon-yl)hydrazinyl-idene]meth-yl}phenyl acetate mol-ecule and a solvent water mol-ecule linked by O-H?O and O-H?N hydrogen bonds from the water mol-ecule and a C-H?O contact from the organic mol-ecule. The compound adopts an E conformation with respect to the azomethine bond and the dihedral angle between the pyridine and benzene rings is 21.90?(7)°. The azomethine bond [1.275?(2)?Å] distance is very close to the formal C=N bond length, which confirms the azomethine bond formation. An extensive set of O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds builds a two-dimensional network progressing along the c axis.

| S-EPMC4384571 | biostudies-literature

(E)-4-{[2-(2-Furylcarbon-yl)hydrazinyl-idene]meth-yl}-2-meth-oxy-phenyl acetate.

Project description:The mol-ecule of the title Schiff base compound, C(15)H(14)N(2)O(5), was obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 2-furyl-carbonyl-hydrazide. In the mol-ecule, the furyl ring makes a dihedral angle of 14.63 (10)° with the benzene ring. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains along the b axis. Futhermore, weak C-H⋯O inter-actions connect the chains, forming corrugated layers parallel to (001). The dihedral angle between the rings is 14.63 (10)°.

| S-EPMC3099912 | biostudies-literature

Crystal structure of (pyridin-2-yl-methyl-idene)(tri-phenyl-meth-yl)amine.

Project description:The title Schiff base compound, C25H20N2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the imine group is approximately coplanar with the pyridine ring, with N-C-C-N torsion angles of 170.1?(3) and -172.0?(3)?Å. In the crystal, A and B dimers are linked by pairs of C-H?? inter-actions and further C-H?? bonds link the dimers into a three-dimensional network.

| S-EPMC4257176 | biostudies-literature

4-{[(4Z)-5-Oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl-idene]meth-yl}phenyl acetate.

Project description:The title mol-ecule, C(18)H(13)NO(4), shows a dihedral angle between the terminal acetyl group (r.m.s. deviation = 0.0081?Å) and remaining non-H atoms (r.m.s. = 0.0734?Å) of 53.45?(7)°. The configuration about the central olefinic bond is Z and overall the mol-ecule has a U-shaped conformation. Supra-molecular chains along the b-axis direction are found in the crystal structure. These are stabilized by (C=O)??(ring centroid of the 1,3-oxazole ring) inter-actions [3.370?(2)?Å].

| S-EPMC2979071 | biostudies-literature

4-[(2-Methyl-5-oxo-4,5-dihydro-1,3-oxazol-4-yl-idene)meth-yl]phenyl acetate.

Project description:In the title compound, C(13)H(11)NO(4), an intramolecular C-H?N interaction helps to establish the conformation. In the crystal, two C-H?O contacts stack adjacent mol-ecules into a one-dimensional double chain running in the a-axis direction.

| S-EPMC2970125 | biostudies-literature

Bis[N-(2-hy-droxy-eth-yl)-N-propyl-dithio-carbamato-κS,S']bis-(4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene]meth-yl}pyridine-κN)cadmium.

Project description:The complete mol-ecule of the title compound, [Cd(C(6)H(12)NOS(2))(2)(C(12)H(10)N(4))(2)], is generated by crystallographic inversion symmetry. The distorted octa-hedral trans-N(2)S(4) donor set for the Cd(2+) ion is defined by two symmetrically S,S'-chelating dithio-carbamate anions and two pyridine N atoms derived from two monodentate 4-pyridine-aldazine (or 4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene}meth-yl]pyridine) mol-ecules [dihedral angle between the aromatic rings = 17.33 (8)°]. In the crystal, mol-ecules are connected into a supra-molecular chain via O-H⋯N hydrogen bonds involving the 4-pyridine-aldazine N atoms not involved in coordination to cadmium. Weak C-H⋯O and C-H⋯N links consolidate the packing.

| S-EPMC3052135 | biostudies-literature

Methyl 2-meth-oxy-4-{[2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzoate.

Project description:The mol-ecule of the title Schiff base compound, C(16)H(15)N(3)O(5), obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 4-nitro-phenyl-hydrazine, adopts an E geometry with respect to the C=N double bond. The mol-ecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90 (9)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link centrosymmetrically related pairs of mol-ecules, forming dimers of R(2) (2)(22) graph-set motif. The dimers are further connected through slipped π-π inter-actions between symmetry-related benzene rings [centroid-centroid distance of 3.646 (1) Å, offset angle of 15.4°].

| S-EPMC2983317 | biostudies-literature

1-(2-Meth-oxy-phen-yl)-2-{[2-(2-meth-oxy-phen-yl)hydrazinyl-idene](nitro)-meth-yl}diazene.

Project description:In the title compound, C(15)H(15)N(5)O(4), a nitro-formazan derivative, the formazan unit is essentially planar with an r.m.s. deviation of 0.0204?(6)?Å and adopts a closed syn,s-cis configuration with an intra-molecular N-H?N hydrogen bond. The formazan plane makes dihedral angles of 4.32?(5) and 24.35?(5)° with the benzene rings. The dihedral angle between the formazan plane and the nitro group is 12.58?(8)°. In the crystal, C-H?O inter-actions connect the mol-ecules into an inversion dimer.

| S-EPMC3295411 | biostudies-literature

2-{(E)-[(2Z)-2-(1,2-Di-hydro-phthalazin-1-yl-idene)hydrazinyl-idene]meth-yl}phenol.

Project description:The title compound, C15H12N4O, adopts an E conformation with respect to the azomethine bond and crystallizes in its hydrazinyl-idene tautomeric form. The dihedral angle between the ring systems is 15.98?(7)°. The phenol O-H group forms an intra-molecular O-H?N hydrogen bond. In the crystal, pairs of N-H?N and C-H?O hydrogen bonds link neighbouring mol-ecules into centrosymmetric dimers. These dimers are inter-connected by means of three types of ?-? stacking inter-actions. One, with a centroid-centroid distance of 3.577?(1)?Å [inter-planar separation = 3.4673?(6)?Å], connects adjacent mol-ecules into centrosymmetric dimers. The other two inter-actions, on the outward facing sides of the dimers, are between phenol rings of neighboring mol-ecules [centroid-centroid separation = 3.7907?(13)?Å and inter-planar separation = 3.5071?(8)?Å], and between phthalazin units [centroid-centroid separation = 3.6001?(12)?Å and inter-planar separation = 3.4891?(7)?Å]. In combination, the ?-? inter-actions lead to the formation of infinite layers with mol-ecules stacked along [0-11]. These layers are, in turn, connected with neighbouring layers through the N-H?N and C-H?O hydrogen bonds, yielding a three-dimensional supra-molecular architecture.

| S-EPMC3790393 | biostudies-literature

4-{[2-(2,4-Dinitro-phen-yl)hydrazinyl-idene]meth-yl}phenol ethanol hemisolvate.

Project description:In the title compound, C(13)H(10)N(4)O(5)·0.5C(2)H(5)OH, the two benzene rings form a dihedral angle of 4.29?(9)°. The ethanol solvent mol-ecule was treated as disordered between two orientations related by symmetry (center of inversion), with occupancies fixed at 0.5. The crystal packing, stabilized by inter-molecular O-H?O and N-H?O hydrogen bonds and ?-? inter-actions [indicated by the short distance of 3.7299?(7)?Å between the centroids of benzene rings from neighbouring mol-ecules], exhibits short inter-molecular O?O contacts of 2.8226?(3)?Å.

| S-EPMC3011783 | 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