Browse
Submit Data
Databases
API
Help

Dataset Information

18 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-[(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

Ethyl 2-{3-[(6-chloro-pyridin-3-yl)meth-yl]-2-(nitro-imino)-imidazolidin-1-yl}acetate.

Project description:In the title compound, C(13)H(16)ClN(5)O(4), the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds are present. In addition, there are weak π-π stacking inter-actions between symmetry-related pyridine rings with a centroid-centroid distance of 3.807 (1) Å.

| S-EPMC3343957 | biostudies-literature

(E)-2-{1-[(6-Chloro-pyridin-3-yl)meth-yl]imidazolidin-2-yl-idene}-2-cyano-N-(2-methylphenyl)acetamide.

Project description:In the title compound, C(19)H(18)N(5)O, the imidazolidine ring makes dihedral angles of 87.62?(17) and 28.27?(11)° with the pyridine and benzene rings, respectively. An intra-molecular N-H?O hydrogen bond is observed between the carbonyl O atom and an imidazolidine H atom. In the crystal, an inter-molecular N-H?N hydrogen bond gives rise to a linear chain running along the b axis.

| S-EPMC3201308 | biostudies-literature

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

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

2-(4-Chloro-phen-yl)-1,5-diphenyl-3-tosyl-imidazolidin-4-one.

Project description:In the title compound, C(28)H(23)ClN(2)O(3)S, the central imidazolidine ring adopts a twisted conformation and the S atom has distorted tetra-hedral geometry. The crystal packing is stabilized by C-H⋯O, C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.8302 (10) Å].

| S-EPMC3099910 | biostudies-literature

1-Acetyl-5-meth-oxy-4-(phenyl-sulfan-yl)imidazolidin-2-one.

Project description:The title compound, C12H14N2O3S, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The five-membered imidazolidin-2-one rings in both mol-ecules are twisted about the C-C bond. In the crystal, the A and B mol-ecules are associated via pairs of N-H?O hydrogen bonds, forming A-B dimers. These dimers are linked via C-H?S hydrogen bonds, forming double dimers, which are in turn linked via C-H?O hydrogen bonds forming two-dimensional networks lying parallel to (001). There are also C-H?? inter-actions present, which consolide the layers and link them, so forming a three-dimensional structure.

| S-EPMC3998308 | 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

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