Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-N'-[4-(Methyl-sulfan-yl)benzyl-idene]furan-2-carbohydrazide monohydrate.

ABSTRACT: In the title compound, C(13)H(12)N(2)O(2)S·H(2)O, the dihedral angle between the aromatic rings is 35.34?(19)° and an intra-molecular N-H?O hydrogen bond generates an S(5) ring. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, generating (001) sheets.

SUBMITTER: Li YF

PROVIDER: S-EPMC3007322 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-N'-[4-(Methyl-sulfan-yl)benzyl-idene]furan-2-carbohydrazide monohydrate.

Li Yu-Feng YF Jian Fang-Fang FF

Acta crystallographica. Section E, Structure reports online 20100731 Pt 8

In the title compound, C(13)H(12)N(2)O(2)S·H(2)O, the dihedral angle between the aromatic rings is 35.34 (19)° and an intra-molecular N-H⋯O hydrogen bond generates an S(5) ring. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, generating (001) sheets. ...[more]

PMID: 21588441

Similar Datasets

Crystal structure of N'-[4-(di-methyl-amino)-benzyl-idene]furan-2-carbohydrazide monohydrate.

Project description:The condensation of 2-furoic hydrazide and 4-dimethyl amino-benzaldehyde in ethanol yielded a yellow solid formulated as the title compound, C14H15N3O2·H2O. The crystal packing is stabilized by inter-molecular O(water)-H?O,N(carbohydrazide) and N-H?O(water) hydrogen bonds, which form a two-dimensional network along the bc plane. Additional C-H?O inter-actions link the mol-ecules into a three-dimensional network. The dihedral angle between the mean planes of the benzene and the furan ring is 34.47?(6)°. The carbohydrazide moiety, i.e., the C=N-N-C=O fragment and the benzene ring are almost coplanar, with an angle of 6.75?(9)° between their mean planes.

| S-EPMC7199266 | 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

N'-(4-Chloro-benzyl-idene)furan-2-carbohydrazide monohydrate.

Project description:In the title compound, C(12)H(9)ClN(2)O(2)·H(2)O, the dihedral angle between the aromatic rings is 13.9?(2)° and an intra-molecular N-H?O hydrogen bond occurs. In the crystal structure, the components are linked by N-H?O, O-H?O and C-H?O hydrogen bonds.

| S-EPMC2983546 | biostudies-other

N'-(4-Cyano-benzyl-idene)furan-2-carbohydrazide monohydrate.

Project description:In the title compound, C(13)H(9)N(3)O(2)·H(2)O, the dihedral angle between the aromatic rings is 10.7?(4)° and an intra-molecular N-H?O hydrogen bond occurs. In the crystal, the components are linked by N-H?O, O-H?N and O-H?O hydrogen bonds.

| S-EPMC3006838 | biostudies-other

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'-[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'-[(E)-(3-Phenyl-1H-pyrazol-4-yl)methyl-idene]naphtho-[2,1-b]furan-2-carbohydrazide monohydrate.

Project description:In the title hydrate, C(23)H(16)N(4)O(2)·H(2)O, the pyrazole ring is approximately planar, with a maximum deviation of 0.023 (1) Å, and makes dihedral angles of 28.63 (6) and 46.44 (7)° with the naphtho-[2,1-b]furan ring system and the benzene ring, respectively, In the crystal, O-H⋯N, O-H⋯O, N-H⋯O, N-H⋯N, C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules, forming sheets lying parallel to the ab plane. The crystal structure also features C-H⋯π inter-actions involving the centroids of the pyrazole and benzene rings.

| S-EPMC3239098 | biostudies-literature

N'-[(E)-2-Hydroxy-benzyl-idene]-5-methyl-isoxazole-4-carbohydrazide monohydrate.

Project description:In the structure of the title compound, C(12)H(11)N(3)O(3)·H(2)O, the dihedral angle formed by the benzene and isoxazole rings is 2.03 (8)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond. In the crystal structure, mol-ecules are linked into a three-dimesional network by inter-molecular N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, and by π-π stacking inter-actions involving adjacent benzene and isoxazole rings [centroid-centroid separation = 3.663 (2) Å].

| S-EPMC2971927 | biostudies-literature

4-Methyl-1-[4-(methyl-sulfan-yl)benzyl-idene]thio-semicarbazide.

Project description:The title compound, C(10)H(13)N(3)S(2), is roughly planar (r.m.s. deviation = 0.086?Å). In the crystal, N-H?S hydrogen bonds link the mol-ecules into (001) sheets.

| S-EPMC3213514 | biostudies-literature

N'-(3,4-Dimethyl-benzyl-idene)furan-2-carbohydrazide.

Project description:The title compound, C(14)H(14)N(2)O(2), was prepared by the reaction of 3,4-dimethyl-benzaldehyde and furan-2-carbohydrazide. The dihedral angle between the aromatic rings is 35.48?(14)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, generating C(4) chains propagating in [010].

| S-EPMC3007564 | 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