Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Bromo-N,N'-bis-(4-methoxy-phen-yl)benzamidine.

ABSTRACT: The title compound, C(21)H(19)BrN(2)O(2), is an amidine containing electron-donating meth-oxy groups and a bulky Br atom on the benzene rings. The solid-state structure reveals a non-centrosymmetric mol-ecule, with an E configuration around the C=N double bond. The C-N bonds show distinct amine [1.3689?(19)?Å] and imine [1.285?(2)?Å] characteristics. In the crystal, symmetry-related mol-ecules are linked via a very weak N-H?N inter-action, and C-H?O and C-H?? inter-actions.

SUBMITTER: Pal AK

PROVIDER: S-EPMC2971424 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Bromo-N,N'-bis-(4-methoxy-phen-yl)benzamidine.

Pal Amlan K AK Hanan Garry S GS

Acta crystallographica. Section E, Structure reports online 20091017 Pt 11

The title compound, C(21)H(19)BrN(2)O(2), is an amidine containing electron-donating meth-oxy groups and a bulky Br atom on the benzene rings. The solid-state structure reveals a non-centrosymmetric mol-ecule, with an E configuration around the C=N double bond. The C-N bonds show distinct amine [1.3689 (19) Å] and imine [1.285 (2) Å] characteristics. In the crystal, symmetry-related mol-ecules are linked via a very weak N-H⋯N inter-action, and C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 21578370

Similar Datasets

1-Bromo-acetyl-2,6-bis-(4-methoxy-phen-yl)-3,5-dimethyl-piperidin-4-one.

Project description:In the title compound, C(23)H(26)BrNO(4), the piperidinone ring adopts a boat conformation. The dihedral angle between the two benzene rings is 70.9?(1)°. The two meth-oxy groups are close to coplanar with the attached benzene rings [C-C-O-C torsion angles of 6.3?(5) and 16.4?(4)°]. A weak C-H?Br intra-molecular inter-action is observed. In the crystal structure, mol-ecules are linked into a chain along [101] by inter-molecular C-H?O hydrogen bonds. A short inter-molecular Br?O contact [3.063?(2)?Å] is observed.

| S-EPMC2959452 | biostudies-literature

2-Bromo-1-(4-methoxy-phen-yl)ethanone.

Project description:The title compound, C(9)H(9)BrO(2), prepared by the reaction of 4-methoxy-acetophenone and cupric bromide, , is approximately planar (r.m.s. deviation 0.0008 Å). In the crystal, weak inter-molecular aromatic C-H⋯O(carbon-yl) hydrogen-bonding inter-actions result in a one-dimensional chain structure.

| S-EPMC2969964 | biostudies-literature

rac-2-Bromo-3-eth-oxy-1,3-bis-(4-methoxy-phen-yl)propan-1-one.

Project description:In the racemic (S,S/R,R) title compound, C(19)H(21)BrO(4), the two benzene rings are almost coplanar to each other, forming a dihedral angle of 3.58 (10)°. The crystal packing is strengthened by inter-molecular Br-O [2.9800 (16) Å] short contacts, which link the molecules into infinite one-dimensional chains along [001].

| S-EPMC2967939 | biostudies-literature

2,3-Bis(4-bromo-phen-yl)quinoxaline.

Project description:The title compound, C(20)H(12)Br(2)N(2), was prepared by the reaction of 1-(3-bromo-phen-yl)-2-(4-bromo-phen-yl)ethane-1,2-dione with o-phenyl-enediamine in refluxing ethanol. In the mol-ecule, all bond lengths and angles are within normal ranges. The dihedral angle between the two benzene rings is 34.89?(1)°. The dihedral angles between the benzene rings and the quinoxaline system are 57.23?(1) and 36.75?(1)°. The crystal packing is stabilized by van der Waals forces.

| S-EPMC2915033 | biostudies-literature

(E)-2,3-Bis(4-methoxy-phen-yl)acrylic acid.

Project description:In the title mol-ecule, C(17)H(16)O(4), the angle between the aromatic ring planes is 69.1?(6)°. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds; mol-ecules related by a centre of symmetry are linked to form inversion dimers.

| S-EPMC2977645 | biostudies-literature

1,3-Bis(4-methoxy-phen-yl)imidazolidium chloride monohydrate.

Project description:The asymmetric unit of the title compound, C(17)H(17)N(2)O(2) (+)·Cl(-)·H(2)O, contains one-half of the cation, one-half of a water mol-ecule and a chloride anion. The complete cation is generated by crystallographic two-fold symmetry, with one C atom lying on the rotation axis. The O and Cl atoms have site symmetry 2. The imidazolidium ring is oriented at a dihedral angle of 4.15?(3)° with respect to the 4-methoxy-phenyl ring and an intramolecular C-H?O interaction occurs. In the crystal structure, inter-molecular O-H?Cl and C-H?Cl hydrogen bonds link the mol-ecules. There is a ?-? contact between the imidazolidium and 4-methoxy-phenyl rings [centroid-to-centroid distance = 3.625(3?Å]. There is also a C-H?? contact between the methyl group and the 4-methoxy-phenyl ring.

| S-EPMC2959710 | biostudies-literature

1-(5-Bromo-2-hydr-oxy-4-methoxy-phen-yl)ethanone.

Project description:In the title compound, C(9)H(9)BrO(3), the dihedral angle between the ethanone group and the aromatic ring is 3.6?(2)°. The mol-ecular conformation is consolidated by an intra-molecular O-H?O hydrogen bond. The crystal structure is stabilized by ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.588?(2)?Å].

| S-EPMC2977251 | biostudies-literature

trans-Bis[bis-(2-methoxy-phen-yl)phenyl-phosphine-?P]dichloridopalladium(II).

Project description:The structure of the title compound, [PdCl(2)(C(20)H(19)O(2)P)(2)], shows a square-planar geometry for the Pd(II) ion within a Cl(2)Pd[PPh(PhOMe)(2)](2) ligand set. The Pd(II) atom sits on an inversion centre and therefore the asymmetric unit contains the Pd(II) atom, one Cl atom and one bis-(2-methoxy-phen-yl)phenyl-phosphine ligand. The trans arrangement of ligands is also imposed by symmetry.

| S-EPMC2971441 | biostudies-literature

trans-Bis[1,3-bis-(2-methoxy-phen-yl)triazenido]dimethano-lcadmium(II).

Project description:In the title compound, [Cd(C(14)H(14)N(3)O(2))(2)(CH(3)OH)(2)], each cadmium(II) center is six-coordinated by an N atom and an O atom of two 1,3-bis-(2-methoxy-phen-yl)triazene ligands and by the O atoms of two methanol mol-ecules. The distorted octa-hedral coordination geometry of the Cd atom has two N and two O atoms in the equatorial plane, and two O atoms in axial positions. The complex is stabilized by intra-molecular O-H?O and O-H?N hydrogen bonds. In the crystal structure the complexes are linked into chains via inter-molecular C-H?? stacking inter-actions. One of the methanol C atoms is disordered with ouccupancies of 0.7:0.3.

| S-EPMC2968540 | biostudies-literature

3,4-Bis(4-bromo-phen-yl)-N-phenyl-maleimide.

Project description:In the title mol-ecule, C(22)H(13)Br(2)NO(2), the three benzene rings are arranged in a propeller-like fashion around the central malemide ring, making dihedral angles of 48.2?(4), 30.2?(4) and 34.8?(4)° with the malemide ring. The C-C single-bond lengths connecting benzene groups and maleimide are significantly shorter [C-C = 1.468?(9) and 1.478?(9)?Å] than a typical Csp(3)-Csp(3) single bond, indicating partial conjugation between the benzene and the mal-eimide. A weak non-classical C-H?O hydrogen bond helps to stabilize the crystal structure.

| S-EPMC3089159 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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