Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(E)-3-Bromo-5-chloro-2-hy-droxy-benzyl-idene]furan-2-carbohydrazide.

ABSTRACT: In the title compound, C12H8BrClN2O3, the furan ring makes a dihedral angle of 17.2?(2)° with the six-membered ring. An intra-molecular O-H?N hydrogen bond stabilizes the mol-ecular conformation. In the crystal, N-H?O hydrogen bonds connect the mol-ecules into chains running along the c-axis direction. The crystal packing is additionally stabilized by C-H?O inter-actions into a three-dimensional supramolecular architecture.

SUBMITTER: Sundar A

PROVIDER: S-EPMC4051112 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N'-[(E)-3-Bromo-5-chloro-2-hy-droxy-benzyl-idene]furan-2-carbohydrazide.

Sundar A A Ranjith S S Rajagopal G G

Acta crystallographica. Section E, Structure reports online 20140517 Pt 6

In the title compound, C12H8BrClN2O3, the furan ring makes a dihedral angle of 17.2 (2)° with the six-membered ring. An intra-molecular O-H⋯N hydrogen bond stabilizes the mol-ecular conformation. In the crystal, N-H⋯O hydrogen bonds connect the mol-ecules into chains running along the c-axis direction. The crystal packing is additionally stabilized by C-H⋯O inter-actions into a three-dimensional supramolecular architecture. ...[more]

PMID: 24940251

Similar Datasets

(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)-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

(E)-N'-(3-Bromo-5-chloro-2-hy-droxy-benzyl-idene)nicotinohydrazide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(9)BrClN(3)O(2), in which the dihedral angles between the benzene and pyridine rings are 8.23?(9)° and 52.84?(12)°. Both the mol-ecules exist in an E configuration with respect to the C=N double bond. The two mol-ecules in the asymmetric unit are linked via weak C-H?O hydrogen bonds. In both the mol-ecules, an intra-molecular O-H?N hydrogen bond generate an S(6) graph-set motif. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds generate bifurcated R(1) (2)(7) ring motifs. The crystal packing is further stabilized by weak inter-molecular N-H?O, N-H?N, C-H?O and ?-? [centroid-centroid distance 3.615?(2)?Å] inter-actions.

| S-EPMC3201283 | biostudies-literature

N'-(4-Hy-droxy-benzyl-idene)ferrocene-1-carbohydrazide.

Project description:In the title compound, [Fe(C(5)H(5))(2)(C(13)H(11)N(2)O(2))], the dihedral angle between the benzene ring and the cyclo-penta-diene ring bonded to the carbonyl group is 26.1?(2)°. In the crystal, bifurcated O-H?(O,N) and N-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3254280 | biostudies-literature

N'-(4-Hy-droxy-benzyl-idene)thio-phene-2-carbohydrazide.

Project description:In the title compound, C(12)H(10)N(2)O(2)S, the dihedral angle between the benzene and thio-phene rings is 23.34?(16)°. In the crystal structure, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, forming (100) sheets.

| S-EPMC3006717 | biostudies-literature

3-Chloro-N'-(4-hy-droxy-benzyl-idene)benzohydrazide.

Project description:The title compound, C(14)H(11)ClN(2)O(2), was prepared by the reaction of 4-hy-droxy-benzaldehyde with 3-chloro-benzo-hydrazide in methanol. The dihedral angle between the two benzene rings is 38.2 (2)°. In the crystal, mol-ecules are linked through inter-molecular N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, forming layers lying parallel to the bc plane.

| S-EPMC3051464 | biostudies-literature

N'-(3-Chloro-benzyl-idene)-4-hy-droxy-benzohydrazide.

Project description:The mol-ecule of the title compound, C14H11ClN2O2 adopts an E conformation of the azomethine double bond and the dihedral angle between the benzene rings is 38.96 (13)°. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯O (with the ketone O atom as acceptor) and C-H⋯O (with the hy-droxy O atom as acceptor) hydrogen bonds, forming a three-dimensional network.

| S-EPMC3589070 | 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'-(3-Bromo-5-chloro-2-hy-droxy-benzyl-idene)-2H-1,3-benzodioxole-5-carbo-hydrazide.

Project description:The asymmetric unit of the title hydrazone compound, C(15)H(10)BrClN(2)O(4), contains two independent mol-ecules. The dihedral angles between the benzene rings are 38.7 (3)° in one mol-ecule and 24.3 (3)° in the other. Both mol-ecules exist in trans conformations with respect to the C=N double bonds of the central methyl-idene units. Intra-molecular O-H⋯N contacts are observed in both mol-ecules, forming S(6) rings. In the crystal, mol-ecules are linked through N-H⋯O hydrogen bonds into chains along the a axis.

| S-EPMC3344473 | 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

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