Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: de Souza MV

PROVIDER: S-EPMC3151956 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

de Souza Marcus V N MV Pinheiro Alessandra C AC Tiekink Edward R T ER Wardell Solange M S V SM Wardell James L JL

Acta crystallographica. Section E, Structure reports online 20110630 Pt 7

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 ...[more]

PMID: 21837231

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

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⋯π connections between the arrays.

| S-EPMC3213592 | biostudies-literature

tert-Butyl N-{(1S)-1-[(2,4-dihy-droxy-benzyl-idene)hydrazinecarbon-yl]-2-hy-droxy-eth-yl}carbamate ethanol monosolvate.

Project description:The mol-ecule of the title ethanol solvate, C(15)H(21)N(3)O(6)·C(2)H(6)O, adopts a curved shape; the conformation about the imine bond [N=N = 1.287 (3) Å] is E. The amide residues occupy positions almost orthogonal to each other [dihedral angle = 85.7 (2)°]. In the crystal, a network of O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds leads to the formation of supra-molecular arrays in the ab plane with the ethanol mol-ecules lying to the periphery on either side. Disorder in the solvent ethanol mol-ecule was evident with two positions being resolved for the C atoms [site occupancy of the major component = 0.612 (10)].

| S-EPMC3052090 | 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

tert-Butyl N-((1S)-2-hy-droxy-1-{N'-[(1E)-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(5), is twisted about the chiral C atom, the dihedral angle formed between the amide residues being 79.6 (3)°. The conformation about the imine bond [1.278 (5) Å] is E. In the crystal, O-H⋯O and N-H⋯O hydrogen bonding between the hy-droxy, amine and carbonyl groups leads to the formation of supra-molecular layers, which stack along the c-axis direction.

| S-EPMC3151906 | biostudies-literature

Benzyl N-[(S)-2-hy-droxy-1-({[(E)-2-hy-droxy-4-meth-oxy-benzyl-idene]hydrazin-yl}carbon-yl)eth-yl]carbamate.

Project description:The shape of the title compound, C(19)H(21)N(3)O(6), is curved with the conformation about the imine bond [1.291 (3) Å] being E. While the hy-droxy-substituted benzene ring is almost coplanar with the hydrazinyl residue [N-N-C-C = 177.31 (18)°], an observation correlated with an intra-molecular O-H⋯N hydrogen bond leading to an S(6) ring, the remaining residues exhibit significant twists. The carbonyl residues are directed away from each other as are the amines. This allows for the formation of O-H⋯O and N-H⋯O hydrogen bonds in the crystal, which lead to two-dimensional supra-molecular arrays in the ac plane. Additional stabilization to the layers is afforded by C-H⋯π inter-actions.

| S-EPMC3011551 | biostudies-literature

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

Project description:The carbamate and hydrazone groups in the title compound, C(18)H(18)N(4)O(6), are approximately orthogonal [dihedral angle = 83.3 (4)°], and the carbonyl groups are effectively anti [O=C⋯C=O torsion angle = -116.2 (7)°]. The conformation about the imine bond [1.295 (11) Å] is E. The crystal packing is dominated by O-H⋯O and N-H⋯O hydrogen bonding, which leads to two-dimensional arrays in the ab plane.

| S-EPMC3007287 | biostudies-literature

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

Project description: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).

| S-EPMC3254530 | biostudies-other

Benzyl N-((S)-2-hydr-oxy-1-{N'-[(E)-2-methoxy-benzyl-idene]hydrazinecarbon-yl}eth-yl)carbamate from synchrotron data.

Project description:A U-shaped conformation is found in the title compound, C(19)H(21)N(3)O(5), with the benzene rings lying to the same side of the mol-ecule; the dihedral angle between them is 10.83 (16)°. The dihedral angle formed between the hydrazinecarbonyl and carbamate residues is 68.42 (13)°. The carbonyl groups lie approximately at right angles to each other [O-C⋯C-O pseudo torsion angle of 107.7 (3)°], and the conformation about the C12=N3 bond [1.279 (4) Å] is E. An intra-molecular N(cb)-H⋯O(hy) (cb = carbmate and hy = hydr-oxy) hydrogen bond occurs, generating an S(6) loop. In the crystal, inter-molecular O(h)-H⋯O(ca) (ca = carbon-yl) and N(hz)-H⋯O(ca) (hz = hydrazine) hydrogen bonds lead to the formation of a supra-molecular chain, two mol-ecules thick, which propagates along the a axis; these are connected by C-H⋯O(ca) contacts.

| S-EPMC2983774 | biostudies-literature

3-Chloro-N'-(3-eth-oxy-2-hy-droxy-benzyl-idene)benzohydrazide monohydrate.

Project description:In the title compound, C(16)H(15)ClN(2)O(3)·H(2)O, the water mol-ecule is linked to the Schiff base mol-ecule via an O-H⋯O hydrogen bond. In the Schiff base mol-ecule, an intramolecular O-H⋯N hydrogen bond occurs and the dihedral angle between the two benzene rings is 20.5 (5)°. In the crystal, the Schiff base and water mol-ecules are linked by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds, forming layers in the ab plane.

| S-EPMC3051784 | 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