Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2RS)-3-Hydr-oxy-2-methyl-2-(2-pyrid-yl)imidazolidine-4-one.

ABSTRACT: The title structure, C(9)H(11)N(3)O(2), is a racemate. The chiral centre is situated at the N-C-N C atom of the imidazolidine ring. The inter-planar angle between the mean planes of the pyridine and imidazolidine rings is 89.41?(5)°. The methyl group is in a trans position with respect to the pyridine N atom. In the crystal, the mol-ecules are arranged in zigzag layers parallel to the b axis. The mol-ecules within the layers are inter-connected by strong O-H?N and weak N-H?O hydrogen bonds; the former take place between OH groups and amine N atoms and the latter between the amine N atom and the carbonyl O atom. In addition, C-H?O inter-actions are also present.

SUBMITTER: Iskenderov TS

PROVIDER: S-EPMC2970069 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2RS)-3-Hydr-oxy-2-methyl-2-(2-pyrid-yl)imidazolidine-4-one.

Iskenderov Turganbay S TS Golenya Irina A IA Gumienna-Kontecka Elźbieta E Fritsky Igor O IO Prisyazhnaya Elena V EV

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

The title structure, C(9)H(11)N(3)O(2), is a racemate. The chiral centre is situated at the N-C-N C atom of the imidazolidine ring. The inter-planar angle between the mean planes of the pyridine and imidazolidine rings is 89.41 (5)°. The methyl group is in a trans position with respect to the pyridine N atom. In the crystal, the mol-ecules are arranged in zigzag layers parallel to the b axis. The mol-ecules within the layers are inter-connected by strong O-H⋯N and weak N-H⋯O hydrogen bonds; the ...[more]

PMID: 21577537

Similar Datasets

Dibromido{2-hydr-oxy-N'-[phen-yl(2-pyrid-yl)methyl-ene]benzohydrazide}copper(II).

Project description:In the title complex, [CuBr(2)(C(19)H(15)N(3)O(2))], the metal ion is coordinated by the N,N',O-tridentate 2-hydr-oxy-N'-[phen-yl(2-pyrid-yl)methyl-ene]benzohydrazide ligand and two bromide ions, resulting in a distorted CuN(2)OBr(2) square-based pyramidal coordination geometry with one bromide ion in the apical site. An intra-molecular N-H?O hydrogen bond occurs in the ligand. In the crystal, mol-ecules are connected by inter-molecular C-H?O, C-H?Br and O-H?Br inter-actions.

| S-EPMC2970229 | biostudies-literature

2-(7-Hydr-oxy-2-naphth-yloxy)-N-(6-methyl-2-pyrid-yl)acetamide.

Project description:In the title compound, C(18)H(16)N(2)O(3), the dihedral angle between the naphthalene ring system and the pyridyl ring is 18.1?(8)°. The mol-ecules are inter-connected via C-H?O and O-H?O hydrogen bonds. Inversion-related mol-ecules are linked by O-H?O hydrogen bonds into cyclic centrosymmetric R(2) (2)(22) dimers. Intra-molecular N-H?O hydrogen bonding produces an S(5) ring motif. The crystal structure is further stabilized by weak C-H-? inter-actions.

| S-EPMC2961012 | biostudies-literature

rac-N-{6-[Bromo-(hydr-oxy)meth-yl]-2-pyrid-yl}pivalamide.

Project description:The title compound, C(11)H(15)BrN(2)O(2), contains an amide group which is close to coplanar with the adjacent pyridine ring, the dihedral angle between the planes being 9.0?(5)°. The mol-ecular packing reveals a mutual hydrogen-bond inter-action between centrosymmetrically related hydroxyl O atoms. Further hydrogen bonding involving O-H?Br and N-H?Br inter-actions also appears to consolidate the packing.

| S-EPMC2968524 | biostudies-literature

The cocrystal 2-hydr-oxy-4-methyl-N-propanoylbenzohydrazide-2-hydr-oxy-N-(2-hydr-oxy-4-methyl-benzo-yl)-6-methyl-benzohydrazide (2/1).

Project description:The asymmetric unit of the title compound, 2C(11)H(14)N(2)O(3)·C(16)H(16)N(2)O(4), contains one mol-ecule of 2-hydr-oxy-4-methyl-N-propanoylbenzohydrazide and one-half of a mol-ecule of 2-hydr-oxy-N-(2-hydr-oxy-4-methyl-benzo-yl)-6-methyl-benzohydrazide. The latter is located on a centre of inversion. Intra-molecular N-H?O inter-actions stabilize the conformations of both mol-ecules. The crystal structure is stabilized by inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC2959582 | biostudies-literature

2-Hydr-oxy-N'-[(E)-(3-hydr-oxy-2-naphth-yl)methyl-ene]benzohydrazide.

Project description:In the title mol-ecule, C(18)H(14)N(2)O(3), O-H?N and N-H?O hydrogen bonds influence the mol-ecular conformation; the benzene and naphthalene planes are inclined at a dihedral angle of 11.54?(5)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains running in the [01] direction.

| S-EPMC2968222 | biostudies-literature

1-(1-Hydr-oxy-9H-carbazol-2-yl)-3-methyl-but-2-en-1-one.

Project description:The title compound, C(17)H(15)NO(2), was prepared as one of two products of the AlCl(3)/POCl(3)-catalysed reaction of 9-carbazol-1-ol with 3,3-dimethyacrylic acid. It crystallizes with two crystallographically independent mol-ecules, A and B, which are virtually superimposable but not related by any translational or other pseudosymmetry. Both independent mol-ecules are almost planar [r.m.s. deviations from planarity = 0.053?(1) and 0.079?(1)?Å in A and B, respectively] and contain an intramolecular O-H?O hydrogen bond. Each type of mol-ecules is connected via pairs of N-H?O hydrogen bonds, forming centrosymmetric A(2) and B(2) dimers which are, in turn, arranged in offset ?-stacks extending along the a-axis direction. The offset of the dimers and the tilt angle of the mol-ecules allows the formation of alternating C-H?? inter-actions between A and B mol-ecules of parallel stacks.

| S-EPMC2979736 | biostudies-literature

5-Hydr-oxy-2-methyl-4H-pyran-4-one.

Project description:The title compound, C(6)H(6)O(3), is a member of the pyrone family. The mol-ecules are planar (r.m.s. deviation of the asymmetric unit is 0.0248?Å, whereas that of the dimer is 0.0360?Å) and they are dimerized due to inter-molecular O-H?O hydrogen bonds. The dimers are connected to each other through hydrogen bonds involving the CH(3) group and the hydr-oxy O atom. There are ?-? inter-actions between the centroids of the pyrone rings at a distance of 3.8552?(13)?Å. A C-H?? inter-action also exists between the carbonyl group and the centroid CgA of the pyrone ring, with O?CgA = 3.65?(1)?Å and C?CgA = 4.363?(2)?Å.

| S-EPMC2968215 | biostudies-literature

1-(2-Hydr-oxy-5-methyl-phen-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one.

Project description:In the structure of the title compound, C(15)H(14)O(2)S, the benzene ring is nearly coplanar with the thio-phene ring. The hydroxy group substituted at C2 position is in an antiperi-planar conformation with respect to the phenyl ring. The crystal structure exhibits weak intramolecular O-H?O hydrogen bonding.

| S-EPMC2979389 | biostudies-literature

Bis{2-hydr-oxy-N-[2-(2-pyrid-yl)eth-yl]benzamide}copper(I) tetra-fluoridoborate.

Project description:The title complex, [Cu(C(14)H(14)N(2)O(2))(2)]BF(4), is a monomeric copper(I) species with linear two-coordinate geometry around the Cu(I) atom. The asymmetric unit contains two half-cations that sit on crystallographic twofold rotation axes. The selected crystal was non-merohedrally twinned by a twofold rotation about an axis normal to the (100) family of planes. The ratio of the twin components refined to 0.4123?(6). Two 2-hydr-oxy-N-[2-(2-pyrid-yl)eth-yl]benzamide ligands coordinate to each Cu(I) atom via the pyridyl N atom. Intra-molecular hydrogen bonding between the phenol OH groups and the amide O atoms imparts rigidity and planarity to the non-coordinating end of the ligand. The cationic complex is linked to the BF(4) (-) anions via hydrogen bonding between the amide NH groups in the cations and BF(4) (-) anions.

| S-EPMC2979673 | biostudies-literature

4-Methyl-3-[4-(3-pyrid-yl)pyrimidin-2-yl-oxy]aniline.

Project description:In the title compound, C(16)H(14)N(4)O, there are inter-molecular N-H?N hydrogen bonds which may be effective in stabilizing the crystal. The title compound is an important medicament and is used in the synthesis of anti-tumour drugs.

| S-EPMC2969253 | 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