Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-Benzaldehyde O-{[3-(pyridin-3-yl)isoxazol-5-yl]meth-yl}oxime.

ABSTRACT: The asymmetric unit of the title compound, C(16)H(13)N(3)O(2), contains two independent mol-ecules in which the pyridine and benzene rings form dihedral angles of 81.7?(2) and 79.8?(2)°, indicating the twist in the mol-ecules. In the crystal, weak C-H?N inter-actions link mol-ecules into chains along [100].

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC3344035 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-Benzaldehyde O-{[3-(pyridin-3-yl)isoxazol-5-yl]meth-yl}oxime.

Moreno-Fuquen Rodolfo R Loaiza Alix Elena AE Diaz-Velandia John J Kennedy Alan R AR Morrison Catriona A CA

Acta crystallographica. Section E, Structure reports online 20120317 Pt 4

The asymmetric unit of the title compound, C(16)H(13)N(3)O(2), contains two independent mol-ecules in which the pyridine and benzene rings form dihedral angles of 81.7 (2) and 79.8 (2)°, indicating the twist in the mol-ecules. In the crystal, weak C-H⋯N inter-actions link mol-ecules into chains along [100]. ...[more]

PMID: 22589944

Similar Datasets

(E)-2-Meth-oxy-6-[(5-methyl-isoxazol-3-yl)imino-meth-yl]phenol.

Project description:In the title mol-ecule, C(12)H(12)N(2)O(3), the benzene and isoxazole rings form a dihedral angle of 5.9?(6)°. The hydr-oxy group is involved in an intra-molecular O-H?N hydrogen bond [O?N = 2.616?(5)?Å], resulting in approximate planarity of the mol-ecular skeleton. In the crystal structure, mol-ecules related by translation along the c axis are stacked into columns, the shortest inter-molecular C?C distance being 3.298?(6)?Å.

| S-EPMC2960214 | biostudies-literature

2-[(E)-(3,4-Dimethyl-isoxazol-5-yl)imino-meth-yl]phenol.

Project description:The title compound, C(12)H(12)N(2)O(2), has been synthesized by the reaction of 5-amino-3,4-dimethyl-isoxazole and salicyladehyde. The mol-ecule adopts an E configuration about the central C=N double bond. The dihedral angle between the isoxazole and phenyl rings is 4.2 (2)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. The crystal studied was a non-merohedral twin with a domain ratio of 0.834 (4):0.166 (4).

| S-EPMC2983993 | biostudies-literature

2,6-Dichloro-benzaldehyde oxime.

Project description:In the title compound, C(7)H(5)Cl(2)NO, there are two mol-ecules in the asymmetric unit. The mol-ecules are essentially identical. Each mol-ecule is connected to a symmetry-related mol-ecule through an inversion center by O-H?N hydrogen bonds, building an R(2) (2)(6) graph-set motif.

| S-EPMC2959647 | biostudies-literature

1-[(E)-(3,4-Dimethyl-isoxazol-5-yl)imino-meth-yl]-2-naphthol.

Project description:The title Schiff base compound, C(16)H(14)N(2)O(2), has been synthesized by the reaction of 5-amino-3,4-dimethyl-isoxazole and 2-hydr-oxy-1-naphthaldehyde. The dihedral angle between the isoxazole ring and the napthyl ring system is 3.29?(7)°. The mol-ecule adopts an E configuration about the central C=N double bond. Intra-molecular O-H?N hydrogen bonding generates an S(6) ring motif. In the crystal structure, ?-? inter-actions are observed involving the isoxazole ring and the substituted benzene ring of the naphthyl unit, with centroid-centroid distances of 3.5200?(10)?Å.

| S-EPMC2979054 | biostudies-literature

3-Chloro-meth-yl-2-hy-droxy-benzaldehyde.

Project description:In the title compound, C(8)H(7)ClO(2), the hydroxyl and aldehyde groups are co-planar with the benzene ring [maximum deviation 0.018?(3)?Å], and the Cl-C-C plane is almost perpendicular to the benzene ring [dihedral angle 83.7?(2)°]. An intra-molecular O-H?O hydrogen bond occurs between the hydroxyl and aldehyde groups.

| S-EPMC3470303 | biostudies-literature

[1-Meth-oxy-3-(pyridin-2-yl)indolizin-2-yl](pyridin-2-yl)methanone.

Project description:Methyl-ation of [1-hy-droxy-3-(pyridin-2-yl)indolizin-2-yl](pyridin-2-yl)methanone was performed via metalation with potassium tert-butano-late in toluene and a subsequent metathesis reaction with methyl iodide yielded the yellow title compound, C(20)H(15)N(3)O(2). The substituents at the indolizine unit are twisted [the indolizine ring system makes dihedral angles of 34.67?(7) and 77.49?(5)°, respectively, with the pyridyl and pyridinoyl rings] with single bonds between the central unit and the attached pyridine ring [1.459?(3)?Å] and the pyridinoyl group [1.483?(3)?Å]. There are no classical hydrogen bonds in the crystal structure.

| S-EPMC3435659 | biostudies-literature

2-[(Pyridin-3-yl-amino)-meth-yl]phenol.

Project description:In the title compound, C(12)H(12)N(2)O, the aromatic rings at either ends of the -CH(2)-NH- link are twisted by 68.79 (7)°. In the crystal, the hy-droxy substituent is a hydrogen-bond donor to the N atom of the pyridine ring of an adjacent mol-ecule, and the hydrogen bond generates a chain along the b axis; it is also a hydrogen-bond acceptor to the amino group of another adjacent mol-ecule. The two hydrogen bonds lead to the formation of a layer structure.

| S-EPMC3238919 | biostudies-literature

2-{[(Pyridin-2-yl)amino]-meth-yl}phenol.

Project description:The planes of the aromatic rings of the title compound, C(12)H(12)N(2)O, are twisted by 50.33 (15)°. The phenol O atom is a hydrogen-bond donor to the pyridine N atom, resulting in the formation of an eight-membered ring in the mol-ecule. The amino N atom is a hydrogen-bond donor to the phenol O atom of an adjacent mol-ecule; this hydrogen bond leads to the formation of a helical chain that runs along the a axis.

| S-EPMC3414928 | biostudies-literature

(E)-2-Bromo-benzaldehyde oxime.

Project description:The configuration of the C=N double bond of the title compound, C(7)H(6)BrNO, is E; the non-H atoms are approximately coplanar (r.m.s. deviation = 0.038?Å). In the crystal, pairs of mol-ecules are linked by a pair of O-H?N hydrogen bonds about a center of inversion, generating hydrogen-bonded dimers.

| S-EPMC3200743 | biostudies-literature

(E)-4-Nitro-benzaldehyde oxime.

Project description:In the title compound, C(7)H(6)N(2)O(3), the planes containing the CNO and ONO atoms subtend dihedral angles of 5.47 (5) and 8.31 (5)°, respectively, with the benzene ring. In the crystal structure, inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers with an R(2) (2)(6) graph-set motif.

| S-EPMC2979095 | 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