Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-N'-(5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene)-1H-indole-3-carbo-hydrazide.

ABSTRACT: There are three independent mol-eculesi n the asymmetric unit of the title compound, C(18)H(16)BrN(3)O(3), in which the dihedral angles between the indole and benzene rings are 76.9?(2), 4.9?(2), and 70.9?(2)°. All three mol-ecules exist in a trans configuration with respect to the methyl-idene units. In each mol-ecule, there is one intra-molecular O-H?N hydrogen bond. In the crystal, N-H?O hydrogen bonds occur.

SUBMITTER: Li XY

PROVIDER: S-EPMC3201537 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-N'-(5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene)-1H-indole-3-carbo-hydrazide.

Li Xiao-Yan XY

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

There are three independent mol-eculesi n the asymmetric unit of the title compound, C(18)H(16)BrN(3)O(3), in which the dihedral angles between the indole and benzene rings are 76.9 (2), 4.9 (2), and 70.9 (2)°. All three mol-ecules exist in a trans configuration with respect to the methyl-idene units. In each mol-ecule, there is one intra-molecular O-H⋯N hydrogen bond. In the crystal, N-H⋯O hydrogen bonds occur. ...[more]

PMID: 22065413

Similar Datasets

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

(E)-N'-(5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene)-2-hy-droxy-benzohydrazide monohydrate.

Project description:The organic molecule of the title hydrate, C(15)H(13)BrN(2)O(4)·H(2)O, is roughly planar, with a mean deviation of 0.0939?(2)?Å. The dihedral angle between the two aromatic rings is 8.2?(3)°. Intra-molecular O-H?N and O-H?O hydrogen bonds are observed. In the crystal, N-H?O(water) and O(water)-H?O hydrogen bonds lead to a three-dimensional network.

| S-EPMC3393308 | biostudies-literature

(E)-N'-(5-Bromo-2-hy-droxy-benzyl-idene)-2-meth-oxy-benzohydrazide.

Project description:In the title compound, C(15)H(13)BrN(2)O(3), the mol-ecule adopts an E configuration about the C=N bond and the two benzene rings form a dihedral angle of 20.3?(3)°. In the mol-ecule, there are two intra-molecular hydrogen bonds, viz. O-H?N and N-H?O, involving the hy-droxy substituent, the meth-oxy O atom and the hydrazide NH group and N atom. In the crystal structure, mol-ecules are linked through N-H?O hydrogen bonds, forming chains propagating along [010].

| S-EPMC3006725 | biostudies-literature

(E)-N'-(5-Bromo-2-hy-droxy-benzyl-idene)-4-hy-droxy-3-meth-oxy-benzohydrazide methanol solvate.

Project description:In the title compound, C(15)H(13)BrN(2)O(4)·CH(4)O, the two benzene rings form a dihedral angle of 3.2 (2)°. An intra-molecular O-H⋯N hydrogen bond is observed. In the crystal structure, mol-ecules are linked through O-H⋯O and N-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (10).

| S-EPMC3006942 | biostudies-literature

(E)-4-Bromo-N'-(4-hy-droxy-3-meth-oxy-benzyl-idene)benzohydrazide monohydrate.

Project description:In the title compound, C(15)H(13)BrN(2)O(3)·H(2)O, the dihedral angle between the two benzene rings is 13.92?(6)°. The meth-oxy group of the 4-hy-droxy-3-meth-oxy-phenyl is almost coplanar with its bound benzene ring, as seen by the C(meth-yl)-O-C-C torsion angle of -0.35?(16)°. In the crystal, mol-ecules are linked into a three-dimensional network by N-H?O, O-H?N and O-H?O hydrogen bonds and also weak C-H?O inter-actions. A short C?O contact of 3.0191?(15)?Å is also present.

| S-EPMC3344027 | biostudies-literature

N'-[(E)-5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene]benzohydrazide monohydrate.

Project description:The title compound, C15H13BrN2O3·H2O, exists in an E conformation with respect to the azo-methane C=N double bond. The benzene and phenyl rings form dihedral angles of 0.46?(2) and 4.90?(3)°, respectively with the central C(=O)N2C unit. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, some hydrazide mol-ecules are replaced by mol-ecules of the 6-bromo isomer. The Br atom from this admixture was refined to give a partial occupancy of 0.0443?(19). A supra-molecular network is built in the lattice by means of inter-molecular N-H?O and two O-H?O inter-actions together with non-classical C-H?O inter-actions involving the lattice water mol-ecule stacking the mol-ecules along the b-axis direction.

| S-EPMC3885046 | biostudies-literature

N'-(2-Bromo-5-hy-droxy-4-meth-oxy-benzyl-idene)-3,5-dihy-droxy-benzo-hydrazide methanol monosolvate.

Project description:In the crystal structure of the title compound, C(15)H(13)BrN(2)O(5)·CH(3)OH, the methanol solvent mol-ecule links symmetry-related mol-ecules through O-H?O and N-H?O hydrogen bonds. Further inter-molecular O-H?O hydrogen bonds link symmetry-related mol-ecules, leading to the formation of a three-dimensional network. Two of the H atoms involved in hydrogen bonding are disordered. The dihedral angle between the rings is 5.64?(14)°.

| S-EPMC3099906 | biostudies-other

(E)-4-Hy-droxy-N'-(3-hy-droxy-4-meth-oxy-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title benzohydrazide derivative, C(15)H(14)N(2)O(4), exists in a trans conformation with respect to the C=N double bond and is twisted, the dihedral angle between the two benzene rings being 24.17?(6)°. The meth-oxy group is almost co-planar with respect to the attached benzene ring [C(m)-O-C-C (m = meth-yl) = -1.45?(17)°]. In the crystal, the mol-ecules are linked by N-H?O and O-H?O hydrogen bonds into sheets parallel to the bc plane. These sheets are further connected into a three-dimensional network by weak C-H?O and C-H?? inter-actions.

| S-EPMC3201407 | biostudies-literature

(E)-4-Hy-droxy-N'-(4-hy-droxy-3-meth-oxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(4), the N=C double bond has an E configuration. The two benzene rings make a dihedral angle of 28.59?(6)°. In the crystal, mol-ecules are linked into a three-dimensional network by inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds and stabilized by weak C-H?? inter-actions.

| S-EPMC3011781 | biostudies-literature

(E)-4-Hy-droxy-N'-(2-hy-droxy-4-meth-oxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(4), the dihedral angle between the benzene rings is 40.59 (4)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, N-H⋯O, O-H⋯O and C-H⋯O inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC3394058 | 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