Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of ethyl 2-[2-((1E)-{(1E)-2-[2-(2-eth-oxy-2-oxoeth-oxy)benzyl-idene]hydrazin-1-yl-idene}meth-yl)phen-oxy]acetate.

ABSTRACT: The complete mol-ecule of the title compound, C22H24N2O6, is generated by crystallographic inversion symmetry and is approximately planar (r.m.s. deviation of the non-H atoms = 0.134?Å). The packing consists of inter-digitated sheets inclined at 25.9?(4)° to one another and linked by short C-H?O hydrogen bonds.

SUBMITTER: Mague JT

PROVIDER: S-EPMC4331898 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Crystal structure of ethyl 2-[2-((1E)-{(1E)-2-[2-(2-eth-oxy-2-oxoeth-oxy)benzyl-idene]hydrazin-1-yl-idene}meth-yl)phen-oxy]acetate.

Mague Joel T JT Mohamed Shaaban K SK Akkurt Mehmet M Ahmed Eman A EA Omran Omran A OA

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

The complete mol-ecule of the title compound, C22H24N2O6, is generated by crystallographic inversion symmetry and is approximately planar (r.m.s. deviation of the non-H atoms = 0.134 Å). The packing consists of inter-digitated sheets inclined at 25.9 (4)° to one another and linked by short C-H⋯O hydrogen bonds. ...[more]

PMID: 25705481

Similar Datasets

Crystal structure of ethyl 2-(2-{(1E)-[(E)-2-(2-hy-droxy-benzyl-idene)hydrazin-1-yl-idene]meth-yl}phen-oxy)acetate.

Project description:In the title compound, C18H18N2O4, the planes of the benzene rings are twisted with respect to each other at 27.25?(7)°. The mol-ecule displays an extended conformation with an intra-molecular O-H?N hydrogen bond. In the crystal, weak C-H?O inter-actions link the mol-ecules, forming supra-molecular chains running along the b-axis direction.

| S-EPMC4384580 | biostudies-literature

Ethyl 5-((1E)-1-{(E)-2-[1-(4-eth-oxy-carbonyl-3-methyl-1,2-oxazol-5-yl)ethyl-idene]hydrazin-1-yl-idene}eth-yl)-3-methyl-1,2-oxazole-4-carboxyl-ate.

Project description:The complete mol-ecule of the title compound, C(18)H(22)N(4)O(6), is generated by the application of a twofold axis of symmetry. Twists are evident in the mol-ecule, i.e. between each -C=N-N group and the adjacent oxazole ring [dihedral angle = 46.08?(12) °] and between the latter and attached ester group [excluding the terminal methyl group; dihedral angle = 24.4?(7) °]. In the crystal, C-H?O and ?-? [3.5990?(11)?Å] contacts connect mol-ecules into supra-molecular arrays in the ac plane. These stack along the b axis, being connected by weak ?-? [3.3903?(11)?Å] inter-actions.

| S-EPMC3200773 | biostudies-literature

Ethyl 2-[(Z)-2-benzyl-hydrazin-1-yl-idene]-2-bromo-acetate.

Project description:In the title compound, C(11)H(13)BrN(2)O(2), the dihedral angle between the phenyl ring and the almost planar (r.m.s. deviation = 0.011 Å) C-C(Br)=N-N(H)- fragment is 74.94 (16)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, which generate C(6) chains propagating in [010]. Weak aromatic π-π stacking [centroid-centroid separation = 3.784 (3) Å] may also help to consolidate the packing.

| S-EPMC3007982 | biostudies-literature

Ethyl ({5-[5'-(2-eth-oxy-2-oxoeth-oxy)-4,4''-difluoro-1,1':3',1''-terphenyl-4'-yl]-1,3,4-oxadiazol-2-yl}sulfan-yl)acetate.

Project description:In the title compound, C(28)H(24)F(2)N(2)O(6)S, the whole mol-ecule is disordered over two sites with refined occupancies of 0.778?(3) and 0.222?(3). The central benzene ring makes dihedral angles of 56.0?(4), 34.5?(4) and 70.9?(4)°, respectively, with the two terminal benzene rings and the 1,3,4-oxadiazole ring in the major component of the disordered mol-ecule. The corresponding angles in the minor component are 59.7?(16), 25.6?(13) and 75.5?(14)°. In the crystal, mol-ecules are linked via C-H?F, C-H?N, C-H?O and C-H?S hydrogen bonds into a three-dimensional network. In addition, C-H?? inter-actions are observed.

| S-EPMC3295461 | 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?? inter-actions.

| S-EPMC3011551 | biostudies-literature

Ethyl 3-(3-eth-oxy-2-hydroxy-benzyl-idene)carbazate.

Project description:In the title compound, C(12)H(16)N(2)O(4), an intra-molecular O-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains propagating in the [010] direction.

| S-EPMC2971398 | biostudies-literature

Ethyl 2-chloro-[2-(4-chloro-phen-yl)hydrazin-1-yl-idene]acetate.

Project description:The title compound, C(10)H(10)Cl(2)N(2)O(2), features a planar C(ar)-N(H)-N=C(Cl) unit [torsion angle = 5.5 (4)°] whose benzene substituent is coplanar with it [dihedral angle = 4.7 (4)°]; this unit is slightly twisted with respect to the carboxyl -CO(2) fragment [dihedral angle = 2.2 (52)°]. The amino group acts as a hydrogen-bond donor to the carbonyl O atom of an adjacent mol-ecule; the hydrogen bond generates a helical polymer that runs along the b axis of the monoclinic unit cell.

| S-EPMC3007972 | biostudies-literature

Ethyl (Z)-2-chloro-2-(2-phenyl-hydrazin-1-yl-idene)acetate.

Project description:The title compound, C(10)H(11)ClN(2)O(2), features an almost planar C(ar)-N(H)-N=C(Cl) unit [torsion angle = 0.8 (1)° whose phenyl substituent is almost coplanar with it [dihedral angle = 2.8 (2)°]; this unit is slightly twisted with respect to the carboxyl -CO(2) fragment [dihedral angle = 10.3 (2)°]. In the crystal, the amino group acts as a hydrogen-bond donor to the carbonyl O atom of an adjacent mol-ecule; the hydrogen bond generates a helical chain that runs along the b axis of the monoclinic unit cell.

| S-EPMC3007979 | biostudies-literature

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

n-Butyl-dichlorido(2-{(1E)-1-[2-(pyridin-2-yl)hydrazin-1-yl-idene]eth-yl}phenolato)tin(IV).

Project description:Two independent mol-ecules comprise the asymmetric unit of the title compound, [Sn(C(4)H(9))(C(13)H(12)N(3)O)Cl(2)]. The Sn atom in each is coordinated by the tridentate ligand via the phenoxide O, hydrazine N and pyridyl N atoms, forming five- and six-membered chelate rings. The approximately octa-hedral coordination geometry is completed by the ?-C atom of the n-butyl group (which is trans to the hydrazine N atom) and two mutually trans Cl atoms. Differences between the mol-ecules are evident in the relative planarity of the chelate rings and in the conformations of the n-butyl groups [C-C-C-C = 177.2?(5) and -64.4?(11)°]. Significant differences in the Sn-Cl bond lengths are related to the formation of N-H?Cl hydrogen bonds, which link the mol-ecules comprising the asymmetric unit into dimeric aggregates. These are consolidated in the crystal packing by C-H?Cl contacts. The structure was refined as an inversion twin; the minor twin component is 37?(3)%.

| S-EPMC3009310 | 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