Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Meth-oxy-N-(4-nitro-benz-yl)aniline.

ABSTRACT: In the title compound, C(14)H(14)N(2)O(3), the nitro group is nearly coplanar with the benzene ring to which it is bonded [dihedral angle = 1.70 (2)°], and this ring is para-substituted by the amino-methyl-ene group. The dihedral angle between the benzene rings is 57.8 (1)°. The crystal structure is stabilized by N-H⋯O and C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions are also observed.

SUBMITTER: Kapoor K

PROVIDER: S-EPMC3343958 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1-[(3-Benz-yloxy-2-nitro-phen-oxy)meth-yl]benzene.

Project description:The asymmetric unit of the title compound, C(20)H(17)NO(4), consists of two crystallographically independent mol-ecules. In one of the mol-ecules, the central benzene ring forms dihedral angles of 2.26?(6) and 58.68?(6)° with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45?(6)°. The corresponding values for the other mol-ecule are 35.17?(6), 70.97?(6) and 69.62?(6)°, respectively. In the crystal, an inversion dimer linked by a pair of C-H?O hydrogen bonds occurs for one of the unique mol-ecules. C-H?? and ?-? [centroid-centroid distances = 3.7113?(8) and 3.7216?(7)?Å] inter-actions link the components into a three-dimensional network.

| S-EPMC3414184 | biostudies-literature

1-(4-Benz-yloxy-5-meth-oxy-2-nitro-phen-yl)ethanone.

Project description:In the mol-ecule of the title compound, C(16)H(15)NO(5), the aromatic rings are oriented at a dihedral angle of 74.89 (3)°. Intra-molecular C-H⋯O inter-actions result in the formation of a seven-membered ring. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into chains along the b axis.

| S-EPMC2977694 | biostudies-literature

2-Hy-droxy-N-(4-meth-oxy-benz-yl)-4-nitro-anilinium chloride.

Project description:The crystal structure of the title compound, C(14)H(15)N(2)O(4) (+)·Cl(-), can be described as being composed of layers containing both cations and anions that are staggered along [010]. Two types of the hydrogen bonds are observed, viz. cation-anion and cation-cation. The chloride anions are acceptors of the strong hydrogen bonds donated by the secondary amine and the hy-droxy groups. The packing is also stabilized by weak C-H?O inter-molecular hydrogen bonds. An intra-molecular N-H?O inter-action also occurs.

| S-EPMC3213600 | biostudies-literature

4-Meth-oxy-3-(trifluoro-meth-yl)aniline.

Project description:In title compound, C(8)H(8)F(3)NO, the meth-oxy group is inclined at 8.7?(4)° to the benzene ring plane. The crystal structure is stabilized by inter-molecular N-H?F, N-H?N and C-H?F hydrogen-bonding inter-actions.

| S-EPMC3275055 | 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, 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

2-[(4-Meth-oxy-benz-yl)imino-meth-yl]phenol.

Project description:In the title Schiff base compound, C(15)H(15)NO(2), prepared from 4-meth-oxy-benzyl-amine and salicyl-aldehyde, an intra-molecular O-H?N hydrogen bonds influences the mol-ecular conformation; the two aromatic rings form a dihedral angle of 73.5?(1)°. In the crystal, weak inter-molecular C-H?O inter-actions link the mol-ecules into chains propagating in [010].

| S-EPMC3011435 | 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

2-Eth-oxy-6-{[1-(3-eth-oxy-2-hy-droxy-benz-yl)-1H-benzimidazol-2-yl]meth-yl}phenol nitro-methane monosolvate.

Project description:In the title solvate, C(24)H(24)N(2)O(4)·CH(3)NO(2), the benzene ring of the 2-eth-oxy-6-methyl-phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021?(2)?Å], making a dihedral angle of 84.32?(7)°. The benzene ring of the 2-eth-oxy-phenol group is somewhat inclined to the benzimidazole ring plane by 28.03?(5)°. The dihedral angle between the benzene rings is 82.20?(9)°. The compound reveals strong intra-molecular O-H?N and O-H?O hydrogen bonds, forming six- and five-membered rings, respectively. In the crystal, mol-ecules are connected by bifurcated O-H?(O,O) hydrogen bonds, forming chains along the b axis.

| S-EPMC3379470 | 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