Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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).

SUBMITTER: Geiger DK

PROVIDER: S-EPMC3470223 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Geiger David K DK Geiger H Cristina HC Donohoe James S JS

Acta crystallographica. Section E, Structure reports online 20120905 Pt 10

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). ...[more]

PMID: 23125667

Similar Datasets

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 ?-? inter-actions occurring between centrosymmetrically related benzene rings [centroid-centroid distance = 3.6020?(11)?Å].

| S-EPMC3394067 | biostudies-literature

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

Project description: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)°.

| S-EPMC3393928 | 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?? inter-action contributes to the stability of the crystal structure.

| S-EPMC3213459 | 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, ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.7465?(14)?Å] and X-Y?? 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

(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?? inter-action contributes to the stability of the crystal structure.

| S-EPMC3275070 | 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, ?-? 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

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-other

Crystal structure of 2-{[(5-nitro-thio-phen-2-yl)methyl-idene]amino}-phenol.

Project description:The title compound, C11H8N2O3S, is roughly planar; the di-hedral angle between the planes of the thio-phene and benzene rings is 8.38?(10)°. An intra-molecular O-H?N hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of O-H?O hydrogen bonds with an R 2 (2)(22) graph-set motif. Aromatic ?-? stacking inter-actions [centroid-centroid sep-ar-ations = 3.653?(3) and 3.852?(3)?Å] link the dimers into a three-dimensional network.

| S-EPMC4459297 | 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

3-[(Furan-2-yl-methyl-idene)amino]-1-(4-methyl-phen-yl)thio-urea.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(13)N(3)OS, which was obtained from a condensation reaction of N-(p-tol-yl)hydrazinecarbothio-amide and furfural. The dihedral angles between the mean planes of the tolyl ring and the (furan-2-yl-methyl-ene)hydrazine unit are 39.83?(8) and 48.95?(7)° in the two mol-ecules. The mol-ecules both exhibit an E configuration. In the crystal, inter-molecular N-H?N and N-H?S hydrogen bonds connect the two independent mol-ecules.

| S-EPMC3051554 | 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