Browse
Submit Data
Databases
API
Help

Dataset Information

45 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-4-Methyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

ABSTRACT: In the crystal structure of the title compound, C(12)H(10)N(2)O(2)S, the benzene and the 2-nitro-thio-phene rings make a dihedral angle of 7.47 (12)°. The dihedral angle between the nitro group and the attached ring is 1.9 (6)°.

SUBMITTER: Ceylan U

PROVIDER: S-EPMC3393928 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-4-Methyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Ceylan Umit U Gümüş Sümeyye S Ağar Erbil E Soylu Mustafa Serkan MS

Acta crystallographica. Section E, Structure reports online 20120616 Pt 7

In the crystal structure of the title compound, C(12)H(10)N(2)O(2)S, the benzene and the 2-nitro-thio-phene rings make a dihedral angle of 7.47 (12)°. The dihedral angle between the nitro group and the attached ring is 1.9 (6)°. ...[more]

PMID: 22798793

Similar Datasets

4-Methyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:The title compound, C(12)H(10)N(2)O(2)S, is a Schiff base formed from p-toluidine and 5-nitro-thio-phene-2-carbaldehyde. The C=N bond adopts an E configuration. The benzene and thio-phene rings form a dihedral angle of 9.2 (1)°.

| S-EPMC3200857 | biostudies-literature

4-Nitro-N-[(E)-thio-phen-2-yl-methyl-idene]aniline.

Project description:In the title compound, C(11)H(8)N(2)O(2)S, there is a twist in the mol-ecule, with the dihedral angle between the five- and six-membered rings being 31.77 (9)°. The nitro group is slightly twisted out of the plane of the benzene ring to which it is attached [O-N-C-C torsion angle = 9.0 (3)°]. The S and N atoms are syn. In the crystal, supra-molecular layers parallel to (-204) are formed by C-H⋯O and C-H⋯N inter-actions. These layers are connected into a three-dimensional architecture by π-π inter-actions occurring between centrosymmetrically related benzene rings [centroid-centroid distance = 3.6020 (11) Å].

| S-EPMC3394067 | biostudies-literature

2-Ethyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:In the title compound, C(13)H(12)N(2)O(2)S, the dihedral angle between the benzene and thio-phene rings is 36.72 (8)°. An inter-molecular C-H⋯π inter-action contributes to the stability of the crystal structure.

| S-EPMC3213459 | biostudies-literature

2-Amino-5-nitro-N-[(E)-thio-phen-2-yl-methyl-idene]aniline.

Project description:In the title mol-ecule, C(11)H(9)N(3)O(2)S, the thio-phene and benzene rings form a dihedral angle of 17.68 (9)°. The thio-phene S atom and the imine N atom are syn with respect to each other. In the crystal, N-H⋯O and N-H⋯N hydrogen bonds connect mol-ecules, forming a two-dimensional network parallel to (10-1).

| S-EPMC3470223 | biostudies-literature

(Z)-3-Meth-oxy-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:In the title compound, C(12)H(10)N(2)O(3)S, the dihedral angle between the benzene and thio-phene rings is 43.17 (4)°. The crystal structure is devoid of any hydrogen-bonding inter-actions. However, π-π inter-actions between the benzene and thio-phene rings [distance between ring centroids = 3.6850 (11) Å] stack the mol-ecules along the a axis. The absolute structure could not be determined as the crystal studied was a racemic twin with a BASF parameter of 0.31 (6).

| S-EPMC3435696 | biostudies-literature

(Z)-2-Meth-oxy-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:The dihedral angle between the benzene and thio-phene rings in the title compound, C(12)H(10)N(2)O(3)S, is 27.94 (13)°. An inter-molecular C-H⋯π inter-action contributes to the stability of the crystal structure.

| S-EPMC3275070 | biostudies-literature

4-Meth-oxy-N-[(E)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:The title mol-ecule, C(12)H(10)N(2)O(3)S, is nonplanar with an inter-planar angle of 33.44 (7)° between the benzene and thio-phene rings. In the crystal there exist only weak inter-molecular C-H⋯O inter-actions, π-π inter-actions between the benzene rings [centroid-centroid distance = 3.7465 (14) Å] and X-Y⋯π inter-actions to the thio-phene and benzene rings [N⋯centroid distances = 3.718 (3) and 3.355 (3) Å, respectively]. Inter-molecular C-H⋯O inter-actions link the mol-ecules into chains parallel to the a axis.

| S-EPMC3470380 | biostudies-literature

3-Chloro-4-(4-chloro-phen-oxy)-N-[(Z)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:In the title compound, C(17)H(10)Cl(2)N(2)O(3)S, the thio-phene ring and the central benzene ring are almost coplanar [dihedral angle = 8.44 (3)°], while the dihedral angle between the two benzene rings rings is 77.49 (9)°. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3275174 | biostudies-literature

2-Methyl-3-nitro-N-{(E)-[5-(4-nitro-phen-yl)furan-2-yl]methyl-idene}aniline.

Project description:In the title Schiff-base type compound, C(18)H(13)N(3)O(5), the central furan ring makes dihedral angles of 12.80?(7) and 51.43?(4)° with the terminal benzene rings. The dihedral angle between the benzene rings is 45.43?(3)°. In the crystal, C-H?O hydrogen bonds link the mol-ecules into layers parallel to (010). In addition, there are ?-? stacking inter-actions within the layer [centroid-centroid distance = 3.584?(1)?Å] and between the layers [centroid-centroid distance 3.751?(1)?Å].

| S-EPMC3435658 | biostudies-literature

Crystal structure and computational study of 2,4-di-chloro-N-[(E)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:The title compound, C11H6Cl2N2O2S, is a Schiff base that incorporates an N-bound 2,4-di-chloro-phenyl and a C-bound 5-nitro-thio-phene ring. The mol-ecule is approximately planar, the maximum deviation from the mean plane being 0.233 (4) Å for the C=N N atom. The dihedral angle between the benzene and thio-phene rings is 9.7 (2)°. The C=N double bond has an E configuration. The crystal structure features C-H⋯O hydrogen bonds,forming sheets parallel to (10-1), and π-π stacking inter-actions between symmetry-related thio-phene and benzene rings, in which the distance between adjacent ring centroids is 3.707 (4) Å, forming a three-dimensional supramolecular structure. Geometric parameters from quantum-chemical calculations are in good agreement with experimental X-ray diffraction results.

| S-EPMC4971869 | 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