Browse
Submit Data
Databases
API
Help

Dataset Information

65 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(3-Nitro-benzyl-idene)aniline.

ABSTRACT: In the title compound, C(13)H(10)N(2)O(2), a Schiff base derivative, the dihedral angle between the two aromatic rings is 31.58 (3)°. The C=N double bond is essentially coplanar with the nitro-phenyl ring. The torsion angle of the imine double bond is 175.97 (13)°, indicating that the C=N double bond is in a trans configuration. The crystal structure is stabilized by C-H⋯O contacts and π-π inter-actions (centroid-centroid distances of 3.807 and 3.808Å).

SUBMITTER: Zaheer M

PROVIDER: S-EPMC2960009 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(3-Nitro-benzyl-idene)aniline.

Zaheer Muhammad M Akhter Zareen Z Bolte Michael M Siddiqi Humaira M HM

Acta crystallographica. Section E, Structure reports online 20081120 Pt 12

In the title compound, C(13)H(10)N(2)O(2), a Schiff base derivative, the dihedral angle between the two aromatic rings is 31.58 (3)°. The C=N double bond is essentially coplanar with the nitro-phenyl ring. The torsion angle of the imine double bond is 175.97 (13)°, indicating that the C=N double bond is in a trans configuration. The crystal structure is stabilized by C-H⋯O contacts and π-π inter-actions (centroid-centroid distances of 3.807 and 3.808Å). ...[more]

PMID: 21581353

Similar Datasets

(E)-2,3-Dimethyl-N-(2-nitro-benzyl-idene)aniline.

Project description:In the title compound, C(15)H(14)N(2)O(2), the 2,3-dimethyl-anilinic and benzaldehyde groups are planar, with r.m.s. deviations of 0.0101 and 0.0241 Å, respectively, and are oriented at a dihedral angle of 11.69 (3)°. The nitro group is inclined to the benzaldehyde group by 34.02 (9)°. The mol-ecule adopts an E configuration about the C=N bond. In the crystal, mol-ecules are linked via C-H⋯O inter-actions, giving rise to the formation of zigzag polymeric chains extending along [010]. They are also linked by C-H⋯π, and π-π inter-actions [centroid-centroid distance of 3.7185 (11) Å] involving symmetry-related aniline and benzene rings. The H atoms of the ortho-methyl group are disordered over two sites with a refined occupancy ratio of 0.69 (2):0.31 (2).

| S-EPMC3006792 | biostudies-literature

2,3-Dimethyl-N-[(E)-4-nitro-benzyl-idene]aniline.

Project description:In the title compound, C(15)H(14)N(2)O(2), the aromatic rings are oriented at a dihedral angle of 24.52 (5)°. The dihedral angle between the nitro group and its parent benzene ring is 9.22 (16)°. In the crystal, mol-ecules inter-act through aromatic π-π stacking inter-actions [centroid-centroid separations = 3.8158 (14) and 3.9139 (14) Å].

| S-EPMC3006706 | biostudies-literature

3,4-Dimeth-oxy-N-(4-nitro-benzyl-idene)-aniline.

Project description:In the title mol-ecule, C(15)H(14)N(2)O(4), the dihedral angle between the two benzene rings is 29.52 (8)°. The nitro and two meth-oxy substituents are almost coplanar with their respective benzene rings. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions.

| S-EPMC2959688 | biostudies-literature

3,4-Dimeth-oxy-N-(3-nitro-benzyl-idene)aniline.

Project description:The title compound, C(15)H(14)N(2)O(4), has two crystallographically independent mol-ecules in the asymmetric unit. In both mol-ecules, the nitro and the two meth-oxy substituents are coplanar with the benzene rings to which they are attached. The benzene rings are nearly coplanar, with dihedral angles between the two benzene rings of 10.39 (8) and 5.95 (8)° in the two mol-ecules. The two independent mol-ecules in the asymmetric unit are rotated with respect to each other such that the dihedral angles between equivalent benzene rings are 49.11 (8) and 63.93 (8)°. In the crystal structure, inter-molecular C-H⋯O hydrogen-bond contacts and a weak C-H⋯π inter-action are observed.

| S-EPMC2959659 | biostudies-literature

4-Meth-oxy-N-(2-nitro-benzyl-idene)aniline.

Project description:The title compound, C(14)H(12)N(2)O(3), was prepared by reaction of 2-nitro-benzaldehyde with 4-methoxy-benzenamine at 377 K. The molecule has an E configuration, with a dihedral angle between the two benzene rings of 43.3 (5)°. An intermolecular C-H⋯O interaction links molecules in zigzag chains down the a axis.

| S-EPMC2959339 | biostudies-literature

4-[1-(Hydroxy-imino)ethyl]-N-(4-nitro-benzyl-idene)aniline.

Project description:In the title compound, C(15)H(13)N(3)O(3), the dihedral angle formed by the two benzene rings is 44.23 (2)°. The crystal structure is stabilized by aromatic π-π stacking inter-actions, with centroid-centroid distances of 3.825 (3) and 3.870 (4) Å between the aniline and the nitro-benzene rings of neighbouring mol-ecules, respectively. In addition, the stacked mol-ecules exhibit inter-molecular C-H⋯N and C-H⋯O inter-actions.

| S-EPMC2970305 | biostudies-literature

N-[(E)-4-(Methyl-sulfon-yl)benzyl-idene]-3-nitro-aniline.

Project description:In the title compound, C(14)H(12)N(2)O(4)S, the dihedral angle between the two aromatic rings is 35.65 (12)°. The crystal packing is stabilized by weak C-H⋯O hydrogen bonds and aromatic π-π ring stacking inter-actions [minimum ring centroid separation = 3.697 (3) Å].

| S-EPMC3200823 | biostudies-literature

N-Benzyl-3-nitro-aniline.

Project description:The mol-ecule of the title compound, C(13)H(12)N(2)O(2), has a bent conformation with a torsion angle about the central C-N bond of 72.55 (19)°. In the crystal, the mol-ecules are connected via classical N-H⋯O and non-classical C-H⋯O hydrogen bonds into chains along [10[Formula: see text]]. The dihedral angle between the ring planes is 86.0 (6)°.

| S-EPMC3247412 | biostudies-literature

N-(4-Chloro-benzyl-idene)-4-methoxy-aniline.

Project description:The title compound, C(14)H(12)ClNO, was prepared by the reaction of 4-methoxy-aniline and 4-chloro-benzaldehyde in ethanol at 367?K. The mol-ecule is almost planar, with a dihedral angle between the two benzene rings of 9.1?(2)° and an r.m.s. deviation from the mean plane through all non-H atoms in the mol-ecule of 0.167?Å.

| S-EPMC2960562 | biostudies-literature

4-Bromo-N-(3,4,5-trimethoxy-benzyl-idene)aniline.

Project description:The title compound, C(16)H(16)BrNO(3), adopts an E configuration with respect to the imine C=N bond. The two benzene rings are twisted with respect to each other at an angle of 38.3 (1)°. In the crystal structure, mol-ecules are connected by weak bifurcated C-H⋯(O, O) hydrogen bonds, forming a helical chain along the b axis.

| S-EPMC2968382 | 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