Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3515280 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Fun Hoong-Kun HK Loh Wan-Sin WS Bhat Manjunath M Arulmoli T T Nagaraja G K GK

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

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. ...[more]

PMID: 23284500

Similar Datasets

(2E)-2-[1-(2-Hy-droxy-4-meth-oxy-phenyl)ethyl-idene]-N-phenyl-hydrazine-carbox-amide monohydrate.

Project description:The title compound, C(16)H(17)N(3)O(3)·H(2)O, exists in the E conformation with respect to the azomethine C=N double bond. While the phenyl ring is almost coplanar with the central hydrazinecarboxamide group [dihedral angle = 14.18?(11)°], it is twisted slightly with respect to the other aromatic ring in the mol-ecule, with a dihedral angle of 22.88?(13)°. The packing is dominated by O-H?O, N-H?O and C-H?O hydrogen-bond inter-actions, forming a three-dimensional supra-molecular structure which is augmented by two types of C-H?? inter-actions. An intramolecular O-H?N interaction is also present in the molecule.

| S-EPMC3470348 | biostudies-literature

[1-Phenyl-2-(4-pyrid-yl)ethyl-idene]hydrazine.

Project description:The title compound, C(13)H(13)N(3), is non-planar, with the pyridine and phenyl rings inclined at an angle of 80.7 (3)°. The central ethyl-idenehydrazine atoms lie in a plane [mean deviation = 0.013 (1) Å], which forms dihedral angles of 88.5 (1) and 9.4 (1)° with the pyridine and phenyl rings, respectively. In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯N hydrogen bonds into infinite chains propagating along the b axis.

| S-EPMC2977769 | biostudies-literature

(1Z,2E)-1-(3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene)-2-(1-p-tolyl-ethyl-idene)hydrazine.

Project description:In the title compound, C24H21N3S, the thia-zole ring makes dihedral angles of 52.03 (6), 62.63 (6) and 12.35 (6)°, respectively, with the two phenyl rings and the benzene ring. In the crystal, weak C-H⋯π inter-actions occur between inversion-related mol-ecules.

| S-EPMC3793809 | biostudies-literature

(1E,2E)-1,2-Bis(2,3-dihydro-1H-inden-1-yl-idene)hydrazine.

Project description:In the title compound, C(18)H(16)N(2), there are two independent half-mol-ecules (A and B) in the asymmetric unit, each mol-ecule being completed by an inversion center situated in the mid-point of the central N-N bond. The mol-ecules themselves therefore are essentially planar with r.m.s. deviations of 0.015 (1) and 0.020 (1) Å, respectively. In the crystal, mol-ecules are connected via C-H⋯π inter-actions in which only type B mol-ecules are donors, while both A and B mol-ecules act as acceptors. As a result, type B mol-ecules are linked into infinite chains along b, which are inter-connected by molecules of type A.

| S-EPMC3435753 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(16)H(14)N(4)O(4), contains one half-mol-ecule of (nitro-phen-yl)ethanimine and the complete mol-ecule is generated by a crystallographic inversion centre. The mol-ecule has an E conformation with respect to each C=N double bond. The central C=N-N=C plane is twisted from the benzene rings with a dihedral angle of 24.76?(11)°. In the crystal, C-H?O inter-actions link the molecules to form sheets that lie parallel to (10-4).

| S-EPMC3295435 | biostudies-literature

(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

(E)-1-Phenyl-2-({5-[(1E)-(2-phenyl-hydrazin-1-yl-idene)meth-yl]-2-thien-yl}methyl-idene)hydrazine.

Project description:The title mol-ecule, C(18)H(16)N(4)S, adopts a U-shape with the aromatic groups lying syn and orientated in the same direction as the thio-phene S atom. The conformation about each of the C=N bonds is E. Overall, the mol-ecule is curved as seen in the dihedral angle of 30.26 (19)° formed between the terminal benzene rings. In the crystal, supra-molecular chains along the c axis are formed by a combination of N-H⋯N hydrogen bonds and N-H⋯π inter-actions.

| S-EPMC2983505 | biostudies-literature

Methyl (2E)-2-({2-[(2E)-2-benzyl-idene-3-meth-oxy-3-oxoprop-yl]-1,3-dioxoindan-2-yl}meth-yl)-3-phenyl-prop-2-enoate.

Project description:In the title compound, C(31)H(26)O(6), the five-membered ring of the indane unit adopts a slight envelope conformation with the flap atom displaced by 1.38 (14) Å. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(9) ring motif. In the crystal, pairs of C-H⋯O hydrogen bonds link centrosymmetrically related mol-ecules into dimers, generating R(2) (2)(22) ring motifs. The crystal packing is further stabilized by C-H⋯π inter-actions.

| S-EPMC3344660 | biostudies-literature

Ethyl 1-phenyl-2-[4-(trifluoro-meth-yl)phen-yl]-1H-benzimidazole-5-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(23)H(17)F(3)N(2)O(2), contains two mol-ecules. In one of the mol-ecules, the phenyl and triflouromethyl-substituted benzene rings form dihedral angles of 52.05?(8) and 33.70?(8)°, respectively, with the benzimidazole ring system, while the dihedral angle between them is 58.24?(10)°. The corresponding values in the other mol-ecule are 58.40?(8), 25.90?(8) and 60.83?(10)°, respectively. In the crystal, mol-ecules are linked into chains along [100] by C-H?O and C-H?N hydrogen bonds. Aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.6700?(12)?Å] also occur.

| S-EPMC3379430 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(3-meth-oxy-phen-yl)ethyl-idene]hydrazine.

Project description:There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(15)H(14)N(4)O(5), with different conformations for the meth-oxy groups. The mol-ecules are both slightly twisted, the dihedral angles between two benzene rings being 8.37 (18)° in one and 7.31 (18)° in the other. In both mol-ecules, the two nitro groups are essentially coplanar with their bound benzene ring, with the r.m.s. deviation of the dinitro-benzene plane being 0.0310 (3) Å in one mol-ecule and 0.0650 (3) Å in the other. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions and stacked along the a axis through π-π inter-actions, with centroid-centroid distances of 3.651 (2) and 3.721 (2) Å. The crystal studied was a non-merohedral twin with a refined minor component of 20.1 (3)%.

| S-EPMC3393954 | 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