Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[(6-Chloro-pyridin-3-yl)meth-yl]-imidazolidin-2-one.

ABSTRACT: In the title mol-ecule, C(9)H(10)ClN(3)O, the dihedral angle between the pyridine ring and imidazoline ring mean plane [maximum deviation = 0.031-(3)?Å] is 76.2?(1)°. In the crystal, N-H?O hydrogen bonds link pairs of mol-ecules to form inversion dimers. In addition, weak C-H?N hydrogen bonds and ?-? stacking inter-actions between pyridine rings [centroid-centroid distance = 3.977?(2)?Å] are observed.

SUBMITTER: Kant R

PROVIDER: S-EPMC3379492 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1-[(6-Chloro-pyridin-3-yl)meth-yl]-imidazolidin-2-one.

Kant Rajni R Gupta Vivek K VK Kapoor Kamini K Shripanavar Chetan S CS Banerjee Kaushik K

Acta crystallographica. Section E, Structure reports online 20120531 Pt 6

In the title mol-ecule, C(9)H(10)ClN(3)O, the dihedral angle between the pyridine ring and imidazoline ring mean plane [maximum deviation = 0.031-(3) Å] is 76.2 (1)°. In the crystal, N-H⋯O hydrogen bonds link pairs of mol-ecules to form inversion dimers. In addition, weak C-H⋯N hydrogen bonds and π-π stacking inter-actions between pyridine rings [centroid-centroid distance = 3.977 (2) Å] are observed. ...[more]

PMID: 22719690

Similar Datasets

1-[(2-Chloro-8-methyl-quinolin-3-yl)-meth-yl]pyridin-2(1H)-one.

Project description:In the title compound, C(16)H(13)ClN(2)O, the quinoline ring system is approximately planar [maximum deviation 0.021?(2)?Å] and forms a dihedral angle of 85.93?(6)° with the pyridone ring. Inter-molecular C-H?O hydrogen bonding, together with weak C-H?? and ?-? inter-actions [centroid-to-centroid distances 3.5533?(9) and 3.7793?(9)?Å], characterize the crystal structure.

| S-EPMC2979145 | biostudies-literature

1-[(2-Chloro-7-methyl-3-quinol-yl)meth-yl]pyridin-2(1H)-one.

Project description:In the title compound, C(16)H(13)ClN(2)O, the quinoline ring system is essentially planar, with a maximum deviation of 0.021?(2)?Å. The pyridone ring is oriented at a dihedral angle of 85.93?(6)° with respect to the quinoline ring system. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules along the b axis. Weak ?-? stacking inter-actions [centroid-centroid distances = 3.7218?(9) and 3.6083?(9)?Å] are also observed.

| S-EPMC2984016 | biostudies-literature

2-[(5-Chloro-pyridin-2-yl-imino)-meth-yl]phenol.

Project description:In the title compound, C12H9ClN2O, the dihedral angle between the aromatic rings is 1.78 (4)° and an intra-molecular O-H⋯N hydrogen bond closes an S(6) ring. In the crystal, C-H⋯O and C-H⋯N hydrogen bonds connect the mol-ecules into [001] chains.

| S-EPMC9462149 | biostudies-literature

3-Chloro-5-(trifluoro-meth-yl)pyridin-2-amine.

Project description:In the title compound, C(6)H(4)ClF(3)N(2), an inter-mediate in the synthesis of the fungicide fluazinam, the F atoms of the trifluoro-methyl group are disordered over two sites in a 0.683 (14):0.317 (14) ratio. In the crystal structure, centrosymmetric dimers arise from pairs of N-H⋯N hydrogen bonds.

| S-EPMC2960342 | biostudies-literature

1-[(6-Chloro-pyridin-3-yl)meth-yl]imidazolidin-2-iminium chloride.

Project description:The title compound, C(9)H(12)ClN(4) (+)·Cl(-), is a natural metabolic product of imidacloprid [systematic name: (E)-1-(6-chloro-3-pyridyl-meth-yl)-N-nitro-imidazolidin-2-yl-idene-amine] and was obtained by the reduction of the latter using Fe in HCl. The dihedral angle between the pyridine and imidazole rings is 62.09?(12)°. The crystal structure is stabilized by N-H?Cl and C-H?Cl inter-actions involving the chloride anion. The pyridine N and the chloride atoms are not involved in inter-molecular inter-actions.

| S-EPMC3254490 | biostudies-literature

1-[(2-Chloro-7,8-dimethyl-quinolin-3-yl)meth-yl]pyridin-2(1H)-one.

Project description:In the title compound, C(17)H(15)ClN(2)O, the quinoline ring system is nearly planar, with a maximum deviation from the mean plane of 0.074?(2)?Å, and makes a dihedral angle of 81.03?(7)° with the pyridone ring. The crystal packing is stabilized by ?-? stacking inter-actions between the pyridone and benzene rings of the quinoline ring system [centroid-centroid distance = 3.6754?(10)?Å]. Furthermore, weak inter-molecular C-H?O hydrogen bonding links mol-ecules into supra-molecular chains along [001].

| S-EPMC2983804 | biostudies-other

Ethyl 3-[(6-chloro-pyridin-3-yl)meth-yl]-2-oxoimidazolidine-1-carboxyl-ate.

Project description:In the title compound, C(12)H(14)ClN(3)O(3), the imidazole ring adopts a half-chair conformation. The dihedral angle between the pyridine and imidazole rings is 70.0?(1)°. In the crystal, the molecules are linked by C-H?O inter-actions, forming chains parallel to the c axis.

| S-EPMC3275221 | biostudies-literature

3,3-Dichloro-1-(chloro-meth-yl)indolin-2-one.

Project description:In the title compound, C(9)H(6)Cl(3)NO, the pyrrole ring is almost coplanar with the benzene ring [dihedral angle = 1.90?(9)°], while the Cl-C-N-C torsion angle is 98.78?(17)°. In the crystal, pairs of mol-ecules are inter-connected by pairs of Cl?Cl inter-actions [3.564?(5)?Å], forming dimers, which are further peripherally connected through inter-molecular C-H?O=C and ?-? inter-actions [centroid-centroid distances = 4.134?(7), 4.134?(6) and 4.238?(7)?Å], forming a two-dimensional network.

| S-EPMC3009249 | biostudies-literature

(4-Chloro-2-{[(pyridin-2-ylmeth-yl)imino]-meth-yl}phenolato)iodido(methanol)zinc(II).

Project description:The title Schiff base zinc(II) complex, [Zn(C(13)H(10)ClN(2)O)I(CH(3)OH)], was synthesized by the reaction of 5-chloro-salicyl-aldehyde, 2-amino-methyl-pyridine and zinc iodide in methanol. The Zn(II) atom is five-coordinated by one phenolate O atom, one imine and one pyridine N atom of the Schiff base ligand, one methanol O atom and one I atom, forming a distorted square-pyramidal geometry, with the I atom at the apical site. The dihedral angle between the benzene and pyridine rings is 22.9 (2)°. In the crystal, centrosymmetrically related mol-ecules are linked through inter-molecular O-H⋯O hydrogen bonds, forming dimers.

| S-EPMC3052144 | biostudies-literature

1-(Pyridin-2-yl)-2-[2-(trifluoro-meth-yl)benz-yl]-3-[2-(trifluoro-meth-yl)phen-yl]propan-1-one.

Project description:The title compound, C(23)H(17)F(6)NO, crystallizes with two mol-ecules in the asymmetric unit. The mol-ecules assume an approximate propellar shape, with the three aromatic rings being bent with respect to the plane formed by the C atoms that are connected to the methine C atom [dihedral angles: pyridyl 67.49?(3)°, phenyl 56.82?(4)° and phenyl 77.21?(6)° in one mol-ecule, and corresponding angles of 71.60?(6), 53.68?(4) and 77.53?(6)° in the second mol-ecule].

| S-EPMC3297303 | 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