Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-{(E)-[5-(Hy-droxy-meth-yl)furan-2-yl]methyl-idene}pyridine-4-carbohydrazide dihydrate.

ABSTRACT: In the title compound, C12H11N3O3·2H2O, the dihedral angle formed by the planes of the pyridine and the furan rings of the organic carbohydrazide mol-ecule is 4.66?(7)°. In the crystal, these mol-ecules form stacks along the b-axis direction, neighbouring mol-ecules within each stack being related by inversion and the shortest distance between the centroids of the pyridine and furan rings being 3.714?(1)?Å. Mol-ecules from neighboring stacks are linked by pairs of N-H?O hydrogen bonds. The water mol-ecules fill the channels between the stacks being linked by O-H?O hydrogen bonds into helices along [010]. Besides this, water mol-ecules are involved in O-H?N and O-H?O hydrogen bonds with the carbohydrazide mol-ecules, thus forming a three-dimensional network, augmented by weak C-H?O interactions.

SUBMITTER: Prasanna MK

PROVIDER: S-EPMC3793823 | biostudies-other | 2013

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N'-{(E)-[5-(Hy-droxy-meth-yl)furan-2-yl]methyl-idene}pyridine-4-carbohydrazide dihydrate.

Prasanna M K MK Sithambaresan M M Pradeepkumar K K Kurup M R Prathapachandra MR

Acta crystallographica. Section E, Structure reports online 20130727 Pt 8

In the title compound, C12H11N3O3·2H2O, the dihedral angle formed by the planes of the pyridine and the furan rings of the organic carbohydrazide mol-ecule is 4.66 (7)°. In the crystal, these mol-ecules form stacks along the b-axis direction, neighbouring mol-ecules within each stack being related by inversion and the shortest distance between the centroids of the pyridine and furan rings being 3.714 (1) Å. Mol-ecules from neighboring stacks are linked by pairs of N-H⋯O hydrogen bonds. The water ...[more]

PMID: 24109410

Similar Datasets

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

Project description:The title compound, C(11)H(9)N(3)O(2), exists in the E conformation with respect to the azomethane C=N bond, and has the keto form. There are two independent mol-ecules in the asymmetric unit and each of these features a slight slanting of the pyridine and furan rings, which form a dihedral angle of 14.96 (10)° in one of the mol-ecules and 5.53 (10)° in the other. The crystal structure is stabilized by N-H⋯O and N-H⋯N hydrogen bonds, weak C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions and π-π inter-actions [shortest centroid-centroid distance = 3.7864 (15) Å].

| S-EPMC3238925 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-meth-oxy-benzyl-idene]pyridine-4-carbohydrazide.

Project description:In the title compound, C(14)H(13)N(3)O(3), the dihedral angle between the pyridine and benzene rings is 15.17?(18)°. The torsion angle of the -C=N-N-C- system between two aromatic rings is -167.1?(3)°. Intra-molecular O-H?N hydrogen bonding generates S(6) rings. In the crystal structure, neighbouring mol-ecules are linked together along the c axis by weak inter-molecular C-H?O and N-H?O hydrogen bonds, generating R(1) (2)(6) ring motifs.

| S-EPMC3009050 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-meth-oxy-benzyl-idene]pyridine-4-carbohydrazide monohydrate.

Project description:The title compound, C14H13N3O3·H2O, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, the lattice water molecule plays a major role in the supramolecular architecture by interconnecting adjacent molecules into a three-dimensional netwrok by means of O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions. The structure also features two non-classical C-H⋯O inter-actions.

| S-EPMC3685038 | biostudies-literature

(E)-N'-(2-Hy-droxy-benzyl-idene)furan-2-carbohydrazide.

Project description:In the title compound, C(12)H(10)N(2)O(3), the dihedral angle between the benzene ring and the furan ring is 16.12?(13)°. The conformation is stabilized by an intra-molecular O-H?N hydrogen bond. Inter-molecular N-H?O hydrogen bonds with the keto group as acceptor lead to strands along [001]. The mol-ecule displays a trans configuration with respect to the C=N and N-N bonds.

| S-EPMC3007379 | 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 π-π 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

(E)-N'-(4-Meth-oxy-benzyl-idene)pyridine-3-carbohydrazide dihydrate.

Project description:In the title compound, C14H13N3O2·2H2O, the hydrazone mol-ecule adopts an E conformation with respect to the C=N bond. The dihedral angle between the benzene and pyridine rings is 8.55 (10)°. The methyl-idene-hydrazide [-C(=O)-N-N=C-] fragment is essentially planar, with a maximum deviation of 0.0375 (13) Å. The mean planes of the benzene and pyridine rings make dihedral angles of 2.71 (14) and 11.25 (13)°, respectively, with mean plane of the methyl-idene-hydrazide fragment. In the crystal, the benzohydrazide and water mol-ecules are linked by N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds into a three-dimensional network.

| S-EPMC3770434 | biostudies-literature

N'-[(E)-1-(5-Chloro-2-hy-droxy-phen-yl)ethyl-idene]pyridine-3-carbohydrazide monohydrate.

Project description:In the title compound, C(14)H(12)ClN(3)O(2)·H(2)O, the benzene ring and the pyridine rings are oriented at a dihedral angle of 57.73 (12)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, the water mol-ecule forms O-H⋯O and O-H⋯N hydrogen bonds to the organic mol-ecule, leading to chains containing R(4) (4)(16) loops. In addition, weak aromatic π-π stacking inter-actions between the centroids of pyridine rings [at distance of 3.864 (2) and 4.013 (2) Å] and C-H⋯π inter-actions occur.

| S-EPMC3006986 | biostudies-literature

5-(Hy-droxy-meth-yl)furan-2-carbaldehyde.

Project description:The title compound (HMF), C(6)H(6)O(3), is one of the products of acid-catalyzed dehydration of high-fructose corn syrup, and has been shown to be toxic to honey bees. The compound was crystallized at 276 K, and it was found that the two independent mol-ecules in the asymmetric unit form an infinite O-H⋯O hydrogen-bonding chain that is linked into a three-dimensional network structure by weak inter-molecular C-H⋯O contacts.

| S-EPMC3007883 | biostudies-literature

N'-[(E)-2-Hy-droxy-3,5-diiodo-benzyl-idene]pyridine-3-carbohydrazide.

Project description:In the title compound, C(13)H(9)I(2)N(3)O(2), the dihedral angle between the two aromatic rings is 10.5 (2)°. The mol-ecule displays a trans configuration with respect to the C=N bond. An intra-molecular O-H⋯N hydrogen bond occurs. The crystal packing is stabilized by N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC3200631 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-iodo-benzyl-idene]furan-2-carbohydrazide monohydrate.

Project description:The organic mol-ecule of the title monohydrate, C(12)H(9)IN(2)O(3)·H(2)O, features a disordered furyl ring with the major component [site occupancy = 0.575?(18)] having the carbonyl O and furyl O atoms syn, and the other conformation having these atoms anti. The mol-ecule is slightly twisted with the dihedral angle between the benzene and furyl rings being 10.3?(6)° (major component). An intra-molecular O-H?N(imine) hydrogen bond is formed. In the crystal, the water mol-ecule accepts a hydrogen bond from an amine H atom, and forms two O-H?O(carbon-yl) hydrogen bonds, thereby linking three different carbohydrazide mol-ecules. The result is a supra-molecular layer parallel to (001). The closest contacts between layers are of the type I?I, at a distance of 3.6986?(6)?Å.

| S-EPMC3275173 | 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