Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[((E)-2-{2-[(E)-2-Hy-droxy-benzyl-idene]hydrazinecarbon-yl}hydrazinyl-idene)meth-yl]phenol.

ABSTRACT: The mol-ecule of the title compound, C(15)H(14)N(4)O(3), is completed by the application of crystallographic twofold symmetry, with the carbonyl group lying on the rotation axis. The mol-ecule is close to planar: the greatest deviation of a torsion angle from 0° is 7.3?(2)° about the bond linking the phenol ring to the rest of the mol-ecule. An intra-molecular O-H?N(imine) hydrogen bond is formed in each half of the mol-ecule. The carbonyl O atom is anti with respect to the amine H atoms and this allows for the formation of N-H?O(hydrox-yl) hydrogen bonds in the crystal, which results in supra-molecular layers lying parallel to (100).

SUBMITTER: Bikas R

PROVIDER: S-EPMC3254530 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-[((E)-2-{2-[(E)-2-Hy-droxy-benzyl-idene]hydrazinecarbon-yl}hydrazinyl-idene)meth-yl]phenol.

Bikas Rahman R Anarjan Parisa Mahboubi PM Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

The mol-ecule of the title compound, C(15)H(14)N(4)O(3), is completed by the application of crystallographic twofold symmetry, with the carbonyl group lying on the rotation axis. The mol-ecule is close to planar: the greatest deviation of a torsion angle from 0° is 7.3 (2)° about the bond linking the phenol ring to the rest of the mol-ecule. An intra-molecular O-H⋯N(imine) hydrogen bond is formed in each half of the mol-ecule. The carbonyl O atom is anti with respect to the amine H atoms and thi ...[more]

PMID: 22259476

Similar Datasets

Benzyl N-(2-hy-droxy-1-{N'-[(1E)-2-hy-droxy-benzyl-idene]hydrazinecarbon-yl}eth-yl)carbamate.

Project description:The mol-ecule of the title compound, C(18)H(19)N(3)O(5), adopts a curved arrangement with the terminal benzene rings lying to the same side. The hydroxyl-benzene ring is close to coplanar with the adjacent hydrazine residue [dihedral angle = 11.14?(12)°], an observation which correlates with the presence of an intra-molecular O-H?N hydrogen bond. The benzyl ring forms a dihedral angle of 50.84?(13)° with the adjacent carbamate group. A twist in the mol-ecule, at the chiral C atom, is reflected in the dihedral angle of 80.21?(12)° formed between the amide residues. In the crystal, two-dimensional arrays in the ac plane are mediated by O-H?O and N-H?O hydrogen bonds.

| S-EPMC3151747 | biostudies-literature

tert-Butyl N-((1S)-2-hy-droxy-1-{N'-[(E)-2-hy-droxy-4-meth-oxy-benzyl-idene]hydrazinecarbon-yl}eth-yl)carbamate.

Project description:The mol-ecule of the title compound, C(16)H(23)N(3)O(6), is twisted about the chiral C atom with the dihedral angle formed between the amide residues being 76.9?(3)°. Overall, the mol-ecule is curved with the terminal organic groups lying to the same side. The conformation about the imine bond [1.291?(5)?Å] is E and an intra-molecular O-H?N hydrogen bond generates an S(6) ring. In the crystal, O-H?O and N-H?O hydrogen bonds involving the hy-droxy, amine and carbonyl groups lead to the formation of supra-molecular layers, which stack along the c-axis direction.

| S-EPMC3212283 | biostudies-literature

2-{[2-(2-Hy-droxy-5-meth-oxy-benzyl-idene)hydrazin-1-yl-idene]meth-yl}-4-meth-oxy-phenol.

Project description:The title phenyl-hydrazine derivative, C16H16N2O4, has a crystallographically imposed centre of symmetry. Except for the methyl group, all non-H atoms are almost coplanar (r.m.s. deviation = 0.0095?Å). Intra-molecular O-H?N hydrogen bonds are observed, generating S(6) graph-set ring motifs.

| S-EPMC3998297 | biostudies-literature

2-{[2-(2-Hy-droxy-3-meth-oxy-benzyl-idene)hydrazin-1-yl-idene]meth-yl}-6-meth-oxy-phenol.

Project description:The title compound, C(16)H(16)N(2)O(4), was obtained from the reaction of hydrazine hydrate and o-vanilin in absolute ethanol. The mol-ecule is almost planar (except for the methyl H atoms), with a mean deviation from the plane of 0.0259?Å. The mol-ecular structure also exhibits an approximate non-crystallographic twofold axis. Intra-molecular O-H?N hydrogen bonds occur. In the crystal, inter-molecular C-H?O hydrogen bonds generate mol-ecular zigzag sheets. The sheets stack through C-H?? inter-actions, leading to a three-dimensional-network.

| S-EPMC3201493 | biostudies-literature

Benzyl N-(1-{N'-[(E)-2,3-dihy-droxy-benzyl-idene]hydrazinecarbon-yl}-2-hy-droxy-eth-yl)carbamate dihydrate.

Project description:The organic mol-ecule in the title dihydrate, C(18)H(19)N(3)O(6)·2H(2)O, adopts a twisted U-shape with the major twists evident about the chiral C atom [the C-N-C-C torsion angle is -88.2?(4) °] and about the oxygen-benzyl bond [C-O-C-C = 74.2?(4) °]. The conformation about the imine bond [1.290?(4)?Å] is E and an intra-molecular O-H?N hydrogen bond helps to establish the near coplanarity of the hy-droxy-benzene and hydrazine groups. The crystal packing features O-H?O and N-H?O hydrogen bonds, leading to two-dimensional supra-molecular arrays in the ab plane with weak C-H?? connections between the arrays.

| S-EPMC3213592 | biostudies-literature

Benzyl N-(1-{N'-[(E)-2-chloro-benzyl-idene]hydrazinecarbon-yl}-2-hy-droxy-eth-yl)carbamate.

Project description:The mol-ecule of the title compound, C(18)H(18)ClN(3)O(4), is twisted about the chiral C atom with the dihedral angle between the two amide residues being 87.8 (5)°, but, overall, it can be described as curved, with the benzene rings lying on the same side of the mol-ecule [dihedral angle = 62.8 (4)°]. The conformation about the imine bond [1.294 (7) Å] is E. In the crystal, a two-dimensional array in the ab plane is mediated by O-H⋯O and N-H⋯O hydrogen bonds as well as C-H⋯Cl inter-actions. The layers stack along the c-axis direction, being connected by C-H⋯.π contacts.

| S-EPMC3151956 | biostudies-literature

2-[({2-[(2-Hy-droxy-5-meth-oxy-benzyl-idene)amino]-eth-yl}imino)-meth-yl]-4-meth-oxy-phenol.

Project description:The asymmetric unit of the title compound, C(18)H(20)N(2)O(4), contains one-half mol-ecule with an inversion center located at the centroid of the mol-ecule. In the crystal, mol-ecules are linked by C-H?? inter-actions, forming layers parallel to (101). An intra-molecular O-H?N hydrogen bond also occurs.

| S-EPMC3379345 | biostudies-literature

2,4-Dichloro-6-({2-[(3,5-dichloro-2-hy-droxy-benzyl-idene)amino]-eth-yl}imino-meth-yl)phenol.

Project description:The title mol-ecule, C(16)H(12)Cl(4)N(2)O(2), lies about an inversion center. The symmetry-unique part of the mol-ecule contains an intra-molecular O-H?N hydrogen bond. In the crystal, mol-ecules are arranged in corrugated layers parallel to (-101). Weak ?-? stacking inter-actions, with a centroid-centroid diatance of 3.7923?(13)?Å, are present.

| S-EPMC3379294 | biostudies-literature

2-[(E)-({3-[(E)-(2-Hy-droxy-benzyl-idene)amino-meth-yl]-1,4-dioxaspiro-[4.5]decan-2-yl}meth-yl)imino-meth-yl]phenol.

Project description:In the title compound, C(24)H(28)N(2)O(4), the dioxalane ring has an envelope conformation. The cyclo-hexane ring adopts a chair conformation. The dihedral angle between the benzene rings is 72.5?(3)°. The mol-ecular conformation is stabilized by two intra-molecular O-H?N hydrogen-bonding inter-actions with an S(6) graph-set motif. The crystal structure is stabilized by van der Waals inter-actions.

| S-EPMC3394072 | biostudies-literature

A new polymorph of N-(2-{N'-[(1E)-2-hy-droxy-benzyl-idene]hydrazinecarbon-yl}phen-yl)benzamide.

Project description:The title compound, C21H17N3O3, is a new polymorph of an already published structure [Shashidhar et al. (2006 ?). Acta Cryst. E62, o4473-o4475]. The previously reported structure crystallizes in the monoclinic space group C2/c, whereas the structure reported here is in the tetra-gonal space group I41/a. The bond lengths and angles are similar in both structures. The mol-ecule adopts an extended conformation via intra-molecular N-H?O and O-H?N hydrogen bonds; the terminal phenyl ring and the hy-droxy-lphenyl ring are twisted with respect to the central benzene ring by 44.43?(7) and 21.99?(8)°, respectively. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, weak C-H?O hydrogen bonds and weak C-H?? inter-actions into a three-dimensional supra-molecular network.

| S-EPMC4051047 | 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