Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Meth-oxy-phen-oxy)-3-nitro-pyridine.

ABSTRACT: In the title mol-ecule, C(12)H(10)N(2)O(4), the pyridine and benzene rings are almost orthogonal [dihedral angle = 86.69 (11)°], with the pyridine N atom directed towards the centre of the benzene ring. The -NO(2) [O-N-C-C = -26.1 (3)°] and -OMe [C-O-C-C = 166.5 (2)°] substituents are not coplanar with their respective aromatic rings. In the crystal, supra-molecular layers in the ab plane are formed via C-H⋯π inter-actions involving methyl H atoms and the pyridine and benzene rings. Short N-O⋯π contacts (where the π-system is derived from the pyridine ring) occur between layers in the c-axis direction.

SUBMITTER: Nasir SB

PROVIDER: S-EPMC3007986 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(4-Meth-oxy-phen-oxy)-3-nitro-pyridine.

Nasir Shah Bakhtiar SB Abdullah Zanariah Z Fairuz Zainal A ZA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100828 Pt 9

In the title mol-ecule, C(12)H(10)N(2)O(4), the pyridine and benzene rings are almost orthogonal [dihedral angle = 86.69 (11)°], with the pyridine N atom directed towards the centre of the benzene ring. The -NO(2) [O-N-C-C = -26.1 (3)°] and -OMe [C-O-C-C = 166.5 (2)°] substituents are not coplanar with their respective aromatic rings. In the crystal, supra-molecular layers in the ab plane are formed via C-H⋯π inter-actions involving methyl H atoms and the pyridine and benzene rings. Short N-O⋯π ...[more]

PMID: 21588752

Similar Datasets

2-(2-Meth-oxy-phen-oxy)-3-nitro-pyridine.

Project description:In the title compound, C(12)H(10)N(2)O(4), the pyridine and benzene rings are almost orthogonal, forming a dihedral angle of 86.63?(6)°. Each of the nitro [O-N-C-C torsion angle = -6.45?(19)°] and meth-oxy [C-O-C-C torsion angle = 179.69?(11)°] groups is almost coplanar with the ring to which it is connected. Mol-ecules are consolidated in the crystal structure via C-H?O inter-actions, forming a three-dimensional network.

| S-EPMC3238845 | biostudies-other

2-(2-Fluoro-4-nitro-phen-oxy)-3-nitro-pyridine.

Project description:In the title compound, C11H6FN3O5, the dihedral angle between the aromatic rings is 72.4?(3)°. The NO2 groups form dihedral angles of 40.8?(2) and 4.8?(2)°, respectively, with the attached pyridine and benzene rings. The crystal structure features ?-? stacking between centrosymmetrically related pairs of pyridine rings [centroid-centroid separation = 3.800?(3)?Å].

| S-EPMC3914119 | biostudies-literature

4-Meth-oxy-N-(4-meth-oxy-2-nitro-phen-yl)benzamide.

Project description:In the title compound, C(15)H(14)N(2)O(5), the central amide C-C(=O)-N-C unit forms dihedral angles of 28.17?(13) and 26.47?(13)° with the two benzene rings, whereas the two benzene rings are almost coplanar, making a dihedral angle of 4.52?(13)°. The two meth-oxy and the nitro substituents are almost coplanar with their attached benzene rings, with C-O-C-C torsion angles of -1.3?(4) and -4.6?(4)°, and an O-N-C-C torsion angle of 17.1?(3)°. In the crystal, mol-ecules are linked via C-H?O and N-H?O inter-actions, forming a tape running along the b axis.

| S-EPMC3470382 | biostudies-literature

2-(4-Methyl-phen-oxy)-5-nitro-pyridine.

Project description:The title mol-ecule, C(12)H(10)N(2)O(3), is twisted, the dihedral angle between the rings being 61.16?(13)°. The nitro group is approximately coplanar with the pyridine ring to which it is attached [O-N-C-C torsion angle = -178.1?(3)°]. Supra-molecular chains along [010] and mediated by C-H?O and ?-? [centroid(pyrid-yl)-(benzene) distance = 3.8259?(18)?Å] contacts feature in the crystal packing.

| S-EPMC3247466 | biostudies-literature

1-(2-Meth-oxy-phen-yl)-2-{[2-(2-meth-oxy-phen-yl)hydrazinyl-idene](nitro)-meth-yl}diazene.

Project description:In the title compound, C(15)H(15)N(5)O(4), a nitro-formazan derivative, the formazan unit is essentially planar with an r.m.s. deviation of 0.0204?(6)?Å and adopts a closed syn,s-cis configuration with an intra-molecular N-H?N hydrogen bond. The formazan plane makes dihedral angles of 4.32?(5) and 24.35?(5)° with the benzene rings. The dihedral angle between the formazan plane and the nitro group is 12.58?(8)°. In the crystal, C-H?O inter-actions connect the mol-ecules into an inversion dimer.

| S-EPMC3295411 | biostudies-literature

Diisopropyl 1-(4-meth-oxy-phen-yl)-2,6-dimethyl-4-(3-nitro-phen-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(28)H(32)N(2)O(7), the 1,4-dihydro-pyridine ring adopts a flattened boat conformation. The two benzene rings are approximately perpendicular to the dihydro-pyridine ring, forming dihedral angles of 84.29 (9) and 82.96 (9)° with the mean plane of the 1,4-dihydro-pyridine unit, whereas the ester groups are only slightly twisted relative to this plane, with dihedral angles of 10.6 (1) and 9.0 (1)°.

| S-EPMC3247382 | biostudies-literature

Crystal structure of 2-(4-meth-oxy-phen-yl)-6-nitro-imidazo[1,2-a]pyridine-3-carbaldehyde.

Project description:In the title compound, C15H11N3O4, the imidazo[1,2-a] pyridine ring system is almost planar [r.m.s. deviation = 0.028?(2)?Å]. Its mean plane makes dihedral angles of 33.92?(7) and 34.56?(6)° with the meth-oxy-phenyl ring and the nitro group, respectively. The cohesion of the crystal structure is ensured by C-H?N and C-H?O hydrogen bonds, forming layers almost parallel to the ac plane.

| S-EPMC4719933 | biostudies-literature

2-[(4-Meth-oxy-2-nitro-phen-yl)imino-meth-yl]phenol.

Project description:The crystal structure of the title compound, C(14)H(12)N(2)O(4), contains four crystallographically independent mol-ecules in the asymmetric unit. All the mol-ecules have similar conformations; the dihedral angles between the aromatic rings are 33.1?(1), 33.76?(9), 31.41?(9) and 32.56?(10)°. Intra-molecular O-H?N hydrogen bonds form S(6) ring motifs in each molecule. In the crystal, there are two pairs of pseudo-inversion-related mol-ecules. Along the c axis, mol-ecules are stacked with ?-? inter-actions between the 2-hy-droxy-phenyl and 4-meth-oxy-2-nitro-phenyl rings [centroid-centroid distances = 3.5441?(12)-3.7698?(12)?Å].

| S-EPMC3414359 | biostudies-literature

1-(4-Meth-oxy-phen-yl)-4-(3-nitro-phen-yl)-3-phen-oxy-azetidin-2-one.

Project description:In the title compound, C(22)H(18)N(2)O(5), the four-membered β-lactam ring is nearly planar, with a maximum deviation of 0.023 (2) Å for the N atom, and has long C-C distances of 1.525 (5) and 1.571 (5) Å. The mean plane of this group makes dihedral angles of 11.61 (19), 74.5 (2) and 72.3 (2)° with three aromatic rings. An intra-molecular C-H⋯O hydrogen bond occurs. The packing of the mol-ecules in the crystal structure is governed mainly by inter-molecular C-H⋯O hydrogen-bonding and C-H⋯π stacking inter-actions. Furthermore, a π-π inter-action [centroid-centroid distance = 3.6129 (19) Å] helps to stabilize the crystal structure.

| S-EPMC3051763 | biostudies-literature

6-Meth-oxy-4-(2,4,5-tri-meth-oxy-phen-yl)-2,2'-bi-pyridine-5-carbo-nitrile.

Project description:In the title 3-cyano-pyridine derivative, C21H19N3O4, the 3-cyano-substituted pyridine ring forms dihedral angles of 2.35?(5) and 41.60?(5)° with the unsubstituted pyridine and 2,4,5-trimeth-oxy-substituted benzene rings, respectively. The dihedral angle between the unsubstituted pyridine and benzene rings is 39.84?(5)°. The meth-oxy groups form Cmeth-yl-O-C-(C,N) torsion angles in the range 0.80?(15)-11.45?(15)°. In the crystal, mol-ecules related by 21 screw axes are linked by weak C-H?N hydrogen bonds along [010]. In addition, weak C-H?? inter-actions and ?-? stacking inter-actions between pyridine rings, with a centroid-centroid distance of 3.6448?(6)?Å, are observed.

| S-EPMC3790375 | 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