Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-3-Dimethyl-amino-1-(2-pyrid-yl)prop-2-en-1-one.

ABSTRACT: The mol-ecule of the title compound, C(10)H(12)N(2)O, is approximately planar, with an r.m.s. deviation of 0.072 Å from the mean plane for the non-H atoms. It was synthesized from 2-acetyl-pyridine and N,N-dimethyl-formamide dimethyl acetal in a one-step reaction.

SUBMITTER: Ni L

PROVIDER: S-EPMC2969911 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-3-Dimethyl-amino-1-(2-pyrid-yl)prop-2-en-1-one.

Ni Lei L Zhao Ji-Li JL Wei Hong H

Acta crystallographica. Section E, Structure reports online 20090808 Pt 9

The mol-ecule of the title compound, C(10)H(12)N(2)O, is approximately planar, with an r.m.s. deviation of 0.072 Å from the mean plane for the non-H atoms. It was synthesized from 2-acetyl-pyridine and N,N-dimethyl-formamide dimethyl acetal in a one-step reaction. ...[more]

PMID: 21577518

Similar Datasets

(E)-3-Dimethyl-amino-1-(4-pyrid-yl)prop-2-en-1-one.

Project description:The title compound, C(10)H(12)N(2)O, is approximately planar, the r.m.s. deviation of the non-H atoms from the mean plane being 0.099 Å.

| S-EPMC2969928 | biostudies-literature

(E)-3-[4-(Dimethyl-amino)phen-yl]-1-(2-pyrid-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(16)H(16)N(2)O, the pyridine ring and non-H atoms of the =CH-C(=O)- unit are coplaner, the largest deviation being 0.045 (2) Å for the O atom. The dihedral angle between this plane and the benzene ring is 2.79 (2)°. The mol-ecular structure is stabilized by inter-molecular C-H⋯π and inter-actions.

| S-EPMC2977827 | biostudies-literature

Triaqua-chlorido[3-dimethyl-amino-1-(2-pyrid-yl)prop-2-en-1-one-κN]manganese(II) chloride.

Project description:In the title compound, [MnCl(C(10)H(12)N(2)O)(H(2)O)(3)]Cl, the Mn(II) ion has a distorted octa-hedral coordination environment formed by one N and one O atom from the chelating 3-dimethyl-amino-1-(2-pyrid-yl)prop-2-en-1-one ligand, one chloride anion and three coordinated water mol-ecules. Inter-molecular O-H⋯O and O-H⋯Cl hydrogen bonds link the cations and anions into layers parallel to the ac plane.

| S-EPMC2977233 | biostudies-literature

Bis[3-dimethyl-amino-1-(2-pyrid-yl)prop-2-en-1-one-κN,O]tris-(nitrato-κO,O')praseodymium(III).

Project description:In the title compound, [Pr(NO(3))(3)(C(10)H(12)N(2)O)(2)], the Pr(III) ion is ten-coordinated by two N and two O atoms from two bidentate 3-(dimethyl-amino)-1-(2-pyrid-yl)prop-2-en-1-one ligands and by six O atoms from three nitrate anions in a distorted bicapped square-anti-prismatic geometry. An extensive three-dimensional network of weak inter-molecular C-H⋯O hydrogen bonds consolidates the crystal packing.

| S-EPMC2979422 | biostudies-literature

3-Dimethyl-amino-1-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(12)H(15)NO, the C=C and C=O functional groups and the benzene ring are involved in an extended conjugated system. The mol-ecules are essentially planar with a maximal deviation from planarity for the non-H atoms of 0.062 (2) Å.

| S-EPMC2980110 | biostudies-literature

(E)-3-Dimethyl-amino-1-(2-thien-yl)prop-2-en-1-one.

Project description:The mol-ecular skeleton of the title mol-ecule, C(9)H(11)NOS, is essentially planar: the thio-phene ring is inclined to the mean plane of the rest non-H atoms by 2.92 (3)°. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC2977183 | biostudies-literature

3-[4-(Dimethyl-amino)phen-yl]-1-(2-pyrrol-yl)prop-2-en-1-one.

Project description:The molecule of the title compound, C(15)H(16)N(2)O, is non-planar with a dihedral angle of 16.0 (1)° between the pyrrole and benzene rings. The ketone double-bond displays an s-cis conformation with an O=C-C=C torsion angle of 7.9 (3) and an intramolecular C-H⋯O hydrogen bond. In the crystal structure, adjacent mol-ecules are paired through N-H⋯O hydrogen bonds into centrosymmetric dimers.

| S-EPMC2961564 | biostudies-literature

trans-Diaqua-bis[(E)-3-(dimethyl-amino)-1-(2-pyrid-yl)prop-2-en-1-one-κN,O]cobalt(II) dinitrate dihydrate.

Project description:In the title compound, [Co(C(10)H(12)N(2)O)(2)(H(2)O)(2)](NO(3))(2)·2H(2)O, the Co(II) ion, located on an inversion center, is trans-coordinated by two N,O-bidentate chelating (E)-3-(dimethyl-amino)-1-(2-pyrid-yl)prop-2-en-1-one ligands and by two water mol-ecules in a slightly distorted octa-hedral geometry. Inter-molecular O-H⋯O hydrogen bonds link the cations, anions and water mol-ecules into layers parallel to the ac plane. The crystal packing also exhibits weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2969776 | biostudies-literature

(2E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(2,5-dimethyl-3-thien-yl)prop-2-en-1-one.

Project description:The asymmetric unit of the title compound, C(17)H(19)NOS, contains two independent mol-ecules which differ in the dihedral angles between the five- and six-membered rings [12.52?(10) and 4.63?(11)°]. Weak inter-molecular C-H?O hydrogen bonds link the two independent mol-ecules into pseudocentrosymmetric dimers. In one mol-ecule, the O atom of the carbonyl group is disordered over two positions in a 0.699?(4):0.301?(4) ratio.

| S-EPMC3008074 | biostudies-literature

(E)-3-Dimethyl-amino-1-(2,5-dimethyl-thio-phen-3-yl)prop-2-en-1-one.

Project description:In the title compound, C(11)H(15)NOS, the 3-(dimethyl-amino)-prop-2-en-1-one unit is approximately planar [maximum deviation = 0.0975 (14) Å] and its mean plane of seven non-H atoms makes a dihedral angle of 6.96 (10)° with the thio-phene ring. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds into inversion dimers with R(2) (2)(14) ring motifs. The dimers are stacked along the c axis through C-H⋯π inter-actions. The two methyl groups, attached to the thio-phene ring and the amino N atom, are each disordered over two orientations, with site-occupancy ratios of 0.59 (4):0.41 (4) and 0.74 (4):0.26 (4), respectively.

| S-EPMC3379305 | 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