Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[(2-Hy-droxy-4-meth-oxy-benzyl-idene)aza-nium-yl]benzoate monohydrate.

ABSTRACT: In the title compound, C(15)H(13)NO(4)·H(2)O, the Schiff base exists in a zwitterionic form and a bifurcated intra-molecular N-H⋯(O,O) hydrogen bond generates two S(6) rings. The dihedral angle between the two benzene rings is 25.8 (2)°. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds.

SUBMITTER: Hang ZX

PROVIDER: S-EPMC3006953 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-Hy-droxy-5-{[(E)-4-meth-oxy-benzyl-idene]aza-nium-yl}benzoate.

Project description:In the title zwitterion, C(15)H(13)NO(4), obtained from the condensation of 5-amino-salicylic acid and 4-meth-oxy-benz-alde-hyde, the 4-hydoxyanilinic group of the 5-amino-salicylic acid moiety and the 4-meth-oxy-benzaldehyde moiety are twisted with respect to one another, making a dihedral angle of 10.37?(7)°. The carboxyl-ate group makes a dihedral angle of 5.7?(2)° with the parent 4-hydoxyanilinic group. An intra-molecular O-H?O hydrogen bond forms an S(6) ring motif. In the crystal, inter-molecular C-H?O and N-H?O hydrogen bonds with R(2) (1)(7) ring motifs link the mol-ecules into infinite chains extending along the c axis. The occurence of slipped ?-? stacking between symmetry-related aromatic rings reinforces the packing.

| S-EPMC2983260 | biostudies-other

(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

(2-Meth-oxy-benz-yl)(2-meth-oxy-benzyl-idene)aza-nium (2-meth-oxy-phen-yl)methanaminium tetra-chloridozincate(II) monohydrate.

Project description:The title compound, (C(8)H(12)NO)(C(16)H(18)NO(2))[ZnCl(4)]·H(2)O, was obtained as a by-product of the Zn(2+) and HCl catalyzed condensation of (2-meth-oxy-phen-yl)methanamine in water. Both cations feature an intra-molecular N-H?O hydrogen bond. In the crystal, the components are linked by an extensive three-dimensional network of N-H?O, O-H?Cl and N-H?Cl hydrogen bonds (three of them bifurcated). Weak C-H?O intera-ctions also occur.

| S-EPMC3006710 | biostudies-literature

(E)-4-Amino-N'-(2-hy-droxy-5-meth-oxy-benzyl-idene)benzohydrazide monohydrate.

Project description:In the title compound, C(15)H(15)N(3)O(3)·H(2)O, the hydazide Schiff base mol-ecule shows an E conformation around the C=N bond. An intra-molecular O-H?N hydrogen bond makes an S(6) ring motif. The dihedral angle between the substituted phenyl rings is 23.40?(11)°. The water mol-ecule mediates linking of neighbouring mol-ecules through O-H?(O,O) hydrogen bonds into infinite chains along the a axis, which are further connected together through N-H?O hydrogen bonds, forming a two-dimensional network parallel to (001). C-H?O inter-actions aso occur.

| S-EPMC3414187 | 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)-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

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

Crystal structure of (E)-2-[(4-hy-droxy-benzyl-idene)aza-nium-yl]benzoate.

Project description:The title Schiff base, C14H11NO3, crystallizes as a zwitterion (i.e. proton transfer from the carb-oxy-lic acid group to the imine N atom). The dihedral angle between the aromatic rings is 19.59?(6)° and an intra-molecular N-H?O hydrogen bond closes an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R 2 (4)(24) loops. The dimers are linked by C-H?O inter-actions, generating (211) sheets.

| S-EPMC4186171 | 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'-(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 ›

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