Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2E)-2-[2-(4-Chloro-phen-yl)hydrazin-1-yl-idene]-4,4,4-trifluoro-3-oxobutanal.

ABSTRACT: The title compound, C(10)H(6)ClF(3)N(2)O(2), was synthesized by coupling 4-dimethyl-amino-1,1,1-trifluoro-but-3-en-2-one with 4-chloro-benzene-diazo-nium chloride. It crystallizes with two mol-ecules in the asymmetric unit, which form two similar centrosymmetric dimers via hydrogen bonds. Extensive electron delocalization and intra-molecular N-H?O hydrogen bonds are responsible for a planar conformation of the mol-ecules (maximum deviations = 0.010 and -0.015?Å for the two molecules). In addition to hydrogen bonds, ?-? stacking inter-actions with centroid-centroid distances of 3.604?(2) and 3.583?(2)?Å contribute to the stability of the crystal structure.

SUBMITTER: Huo YP

PROVIDER: S-EPMC3007078 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2E)-2-[2-(4-Chloro-phen-yl)hydrazin-1-yl-idene]-4,4,4-trifluoro-3-oxobutanal.

Huo Yan-Ping YP Zhou Li-Hua LH

Acta crystallographica. Section E, Structure reports online 20100616 Pt 7

The title compound, C(10)H(6)ClF(3)N(2)O(2), was synthesized by coupling 4-dimethyl-amino-1,1,1-trifluoro-but-3-en-2-one with 4-chloro-benzene-diazo-nium chloride. It crystallizes with two mol-ecules in the asymmetric unit, which form two similar centrosymmetric dimers via hydrogen bonds. Extensive electron delocalization and intra-molecular N-H⋯O hydrogen bonds are responsible for a planar conformation of the mol-ecules (maximum deviations = 0.010 and -0.015 Å for the two molecules). In additio ...[more]

PMID: 21587882

Similar Datasets

(1Z,2E)-N'-{1-[2-(4-Bromo-phen-yl)hydrazin-1-yl-idene]-1-chloro-propan-2-yl-idene}thio-phene-2-carbohydrazide.

Project description:In the title compound, C(14)H(12)BrClN(4)OS, the thienyl ring is disordered over two orientations with a site-occupancy ratio of 0.853?(2):0.147?(2). The mol-ecule is roughly planar, with the dihedral angles between the thienyl and benzene rings being 6.24?(16) and 9.7?(11)° for the major and minor components, respectively. The central fragment is almost planar [r.m.s. deviation = 0.0275?(2)?Å for the ten non-H atoms]. The mean plane through this middle unit makes a dihedral angle of 2.71?(7)° with the benzene ring, whereas these values are 4.46?(15) and 7.7?(11)° for the major and minor components of the thienyl ring, respectively. In the crystal, mol-ecules are linked into dimers by pairs of N-H?O hydrogen bonds, forming R(2) (2)(8) ring motifs. These dimers are arranged into sheets parallel to the ac plane.

| S-EPMC3344617 | 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

(1Z,2E)-N'-{2-Chloro-1-methyl-2-[2-(4-methyl-phen-yl)hydrazin-1-yl-idene]ethyl-idene}-4-meth-oxy-benzohydrazide.

Project description:The asymmetric unit of the title compound, C(18)H(19)ClN(4)O(2), contains two mol-ecules, in which the dihedral angles between the benzene rings are 43.60 (12) and 58.65 (13)°. The hydrazine N atoms are twisted slightly out of the planes of the tolyl and meth-oxy-benzene rings: the C-C-N-N and N-N-C-C torsion angles are 171.1 (2) and -174.4 (2)°, respectively, for one mol-ecule and -177.4 (2) and -170.6 (2)°, respectively, for the other. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds into chains propagating along the b-axis direction.

| S-EPMC3343910 | biostudies-literature

Dimethyl 2-[2-(2,4,6-tri-chloro-phen-yl)hydrazin-1-yl-idene]butane-dioate.

Project description:In the title compound, C12H11Cl3N2O4, the dihedral angle between the aromatic ring and the hydrazine (NH-N=C) grouping is 52.2?(3)°. The butanedioate groups exhibit planar conformations. An intra-molecular N-H?O hydrogen bond links the N-H group of the hydrazine to one of the meth-oxy groups of the butane-dioate moiety. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds and ?-? inter-actions are also observed [centroid-centroid separation = 3.535?(1)?Å].

| S-EPMC3914063 | biostudies-literature

3-[(2E)-2-(Butan-2-yl-idene)hydrazin-yl]-6-chloro-pyridazine.

Project description:The asymmetric unit of the title compound, C(8)H(11)ClN(4), contains two independent mol-ecules (A and B) with slightly different conformations: the dihedral angles between the 3-chloro-6-hydrazinylpyridazine units and butyl side chains are 4.5?(2) and 11.98?(16)°. In the crystal, the A and B mol-ecules are linked by a pair of N-H?N hydogen bonds, generating an R(2) (2)(8) loop.

| S-EPMC2983409 | biostudies-other

(1E,2E)-1,2-Bis[1-(3-chloro-phen-yl)ethyl-idene]hydrazine.

Project description:The title mol-ecule, C(16)H(14)Cl(2)N(2), lies on an inversion center. The dihedral angle between the symmetry-related benzene rings is 0.02?(11)°. The mean plane of the central C(meth-yl)-C=N-N=C-C(meth-yl) unit forms a dihedral angle of 5.57?(12)° with the symmetry-unique benzene ring.

| S-EPMC3239059 | biostudies-literature

(2E)-2-(2-Phenyl-hydrazin-1-yl-idene)propanoic acid.

Project description:The 13 non-H atoms comprising the title compound, C(9)H(10)N(2)O(2), are close to planar (r.m.s. deviation = 0.140?Å), with maximum deviations of 0.292?(1) and 0.210?(1)?Å to either side of the least-squares plane exhibited by the hy-droxy and carbonyl O atoms, respectively. The observed conformation is stabilized by an intra-molecular O-H?N hydrogen bond. The conformation about the N=C double bond [1.2909?(16)?Å] is E. The hy-droxy OH group also forms an inter-molecular hydrogen bond to a carbonyl O atom, and the amine H atom similarly forms an N-H?O hydrogen bond to a second carbonyl O atom. The result is the formation of a double layer with a flat topology. Layers stack along the a-axis direction connected by C-H?? inter-actions.

| S-EPMC3089133 | biostudies-literature

(2E)-1-[2,3-Dichloro-6-methyl-5-(trifluoro-meth-yl)phen-yl]-2-(1-phenyl-ethyl-idene)hydrazine.

Project description:The title compound, C(16)H(13)Cl(2)F(3)N(2), exists in an E conformation with respect to the C=N bond [1.2952?(11)?Å] and the C-N-N=C torsion angle is 175.65?(8)°. The dihedral angle between the benzene rings is 42.09?(4)°. An intra-molecular C-H?F hydrogen bond generates an S(6) ring. In the crystal, the mol-ecules are linked into [101] chains by C-H?F hydrogen bonds.

| S-EPMC3515280 | biostudies-literature

(1E,2E)-1,2-Bis(2,2-diphenyl-hydrazin-1-yl-idene)ethane.

Project description:In the crystal structure of the title compound, C(26)H(22)N(4), the mol-ecule is located on an inversion centre and shows an E configuration with respect to each C=N bond. The dihedral angle between the phenyl rings in the diphenyl-hydrazone group is 83.69 (11)°. These two rings make dihedral angles of 30.53 (15) and 84.53 (16)° with the central N-N=C-C=N-N dihydrazonoethane plane. Inter-molecular C-H⋯π inter-actions are observed.

| S-EPMC3007945 | biostudies-literature

(2E)-4-(4-Bromo-phen-yl)-2-{2-[(1E)-cyclo-pentyl-idene]hydrazin-1-yl-idene}-3-phenyl-2,3-di-hydro-1,3-thia-zole.

Project description:In the title compound, C20H18BrN3S, the cyclo-pentane ring adopts a half-chair conformation. The 4-bromo-phenyl and phenyl rings make dihedral angles of 34.6?(1) and 68.52?(6)°, respectively, with the di-hydro-thia-zole ring. In the crystal, the mol-ecules pack in sheets approximately parallel to (101) which are formed by weak C-H?Br inter-actions.

| S-EPMC4051030 | 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