Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(Naphthalen-2-yl-oxy)-5-nitro-pyridine.

ABSTRACT: A nearly orthogonal relationship is found for the ring systems in the title compound, C(15)H(10)N(2)O(3), with the dihedral angle between the rings being 86.13?(11)°. The nitro group is approximately coplanar with the pyridine ring to which it is connected [the O-N-C-C torsion angle = -1.8?(4)°]. This coplanarity allows for the close approach of these residues in the crystal structure enabling the formation of N-O??(pyridine) inter-actions [3.547?(4)?Å]. Further consolidation of the crystal packing is afforded by weak ?-? inter-actions [centroid-centroid distances = 3.9576?(16) and 3.9822?(16)?Å].

SUBMITTER: Nasir SB

PROVIDER: S-EPMC3247468 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(Naphthalen-2-yl-oxy)-5-nitro-pyridine.

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

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

A nearly orthogonal relationship is found for the ring systems in the title compound, C(15)H(10)N(2)O(3), with the dihedral angle between the rings being 86.13 (11)°. The nitro group is approximately coplanar with the pyridine ring to which it is connected [the O-N-C-C torsion angle = -1.8 (4)°]. This coplanarity allows for the close approach of these residues in the crystal structure enabling the formation of N-O⋯π(pyridine) inter-actions [3.547 (4) Å]. Further consolidation of the crystal pack ...[more]

PMID: 22220086

Similar Datasets

(2,7-Dimeth-oxy-naphthalen-1-yl)(3-nitro-phen-yl)methanone.

Project description:The title compound, C(19)H(15)NO(5), has an intra-molecular C-H?O=C hydrogen bond between a naphthalene H atom and the O atom of the carbonyl group. The inter-planar angle between the naphthalene ring system and the benzene ring is 69.59?(5)°. The dihedral angle between the bridging carbonyl C-C(=O)-C plane and the naphthalene ring system is 61.02?(6)°, which is far larger than that between the bridging carbonyl plane and the benzene ring [12.68?(7)°]. The nitro group is slightly out of the plane of the benzene ring [O-N-C-C torsion angle = 4.97?(17)°]. In the crystal, the packing is mainly stabilized by C-H?O inter-actions between an H atom of the benzene ring and an O atom of the nitro group.

| S-EPMC3009278 | biostudies-literature

2-Amino-6-methyl-5-{5-[(naphthalen-2-yl-oxy)meth-yl]-1,3,4-oxadiazol-2-ylsulfan-yl}-4-(3-nitro-phen-yl)pyridine-3-carbonitrile.

Project description:The asymmetric unit of the title compound, C26H18N6O4S, contains two independent mol-ecules (A and B). The dihedral angles between the oxadiazole ring and naphthalene ring system are 42.59 (14) and 6.88 (14) Å in mol-ecules A and B, respectively. The dihedral angles between the pyridine and benzene rings in A and B are 65.53 (13 )and 87.67 (13) Å, respectively. In the crystal, mol-ecules A and B are linked through a pair of N-H⋯N hydrogen bonds involving one -NH2 group H atom and second pair of N-H⋯N hydrogen bonds involving the other -NH2 group H atom, forming an -ABAB- ribbon along [100] containing R 2 (2)(8) and R 2 (2)(12) ring motifs. These ribbons are further connected by weak C-H⋯N, C-H⋯O and C-H⋯π inter-actions, resulting in a three-dimensional network. The crystal studied was a non-merohedral twin with refined components 0.906 (1):0.094 (1).

| S-EPMC3629525 | biostudies-literature

4-(Naphthalen-1-yl)pyridine.

Project description:In the title compound, C15H11N, the mean planes of the aromatic moieties are inclined to one another by 72.9?(1)°. The crystal is stabilized by ?-? stacking inter-actions between the pyridine rings of inversion-related mol-ecules, with a centroid-centroid distance of 3.772?(2)?Å. In addition, C-H?? contacts involving an ?-C-H group of the pyridine ring and the nonsubstituted ring of the naphthalene unit are observed, giving rise to a herringbone-type supramolecular architecture of the naphthalene moiety being contained in the molecule.

| S-EPMC3952235 | biostudies-literature

(3,6-Dimeth-oxy-naphthalen-2-yl)(naphthalen-2-yl)methanone.

Project description:In the title compound, C(23)H(18)O(3), the dihedral angle between the two naphthalene ring systems is 78.02 (3)°. The bridging carbonyl C-C(=O)-C plane makes a dihedral angle of 70.56 (5)° with the naphthalene ring system in the 2,7-dimeth-oxy-naphthalene moiety and a dihedral angle of 11.53 (5)° with the naphthalene ring system in the naphthoyl group. In the crystal, adjacent mol-ecules are linked via C-H⋯π inter-actions, forming chains along [010].

| S-EPMC3435680 | biostudies-literature

{2,7-Dieth-oxy-8-[(naphthalen-2-yl)carbon-yl]naphthalen-1-yl}(naphthalen-2-yl)methanone.

Project description:In the title compound, C36H28O4, the two 2-naphthoyl groups at the 1- and 8-positions of the central 2,7-dieth-oxy-naphthalene ring system are aligned almost anti-parallel and make a dihedral angle of 48.35?(5)°. The dihedral angles between the central 2,7-dieth-oxy-naphthalene ring system and the terminal naphthalene ring systems are 77.64?(4) and 73.73?(4)°. In the crystal, mol-ecules are linked into chains along the a-axis direction by dual C-H?O inter-actions between naphthoyl groups.

| S-EPMC3588451 | biostudies-literature

2-Meth-oxy-1-(2-meth-oxy-4-nitro-naphthalen-1-yl)-6-nitro-naphthalene.

Project description:In the title compound, C22H16N2O6, the naphthalene ring systems form a dihedral angle of 65.2?(1)°. Two O atoms of one of the nitro groups are disordered over two sets of sites with occupancy factors of 0.586?(15) and 0.414?(15). Weak C-H?O inter-molecular inter-actions are present, forming a ladder like structure along the a axis.

| S-EPMC3647876 | biostudies-other

2-(Naphthalen-2-yl-oxy)-<i>N</i>'-[2-(naphthalen-2-yl-oxy)acet-yl]acetohydrazide monohydrate.

Project description:The title compound, C24H20N2O4·H2O, crystallizes with half a mol-ecule of 2-(naphthalen-2-yl-oxy)-N'-[2-(naphthalen-2-yl-oxy)acet-yl]acetohydrazide and half a water mol-ecule in the asymmetric unit. In the crystal, mol-ecules form planes parallel to (011). Two mol-ecules are connected by water mol-ecules via O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC9462322 | biostudies-literature

[2,7-Dimeth-oxy-8-(2-naphtho-yl)naphthalen-1-yl](naphthalen-2-yl)methanone.

Project description:The mol-ecule of the title compound, C(34)H(24)O(4), possesses crystallographically imposed twofold C(2) symmetry. The two 2-naphthoyl groups at the 1- and 8-positions of the central naphthalene ring are aligned almost anti-parallel [5.21?(5)°]. The dihedral angle between the central 2,7-dimeth-oxy-naphthalene unit and the terminal naphthyl groups is 75.13?(4)°. In the crystal, weak C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid and inter-planar distances are 3.6486?(8) and 3.3734?(5)?Å, respectively] are observed.

| S-EPMC3213537 | biostudies-literature

(4-Chloro-phen-yl)(2,7-dimeth-oxy-8-nitro-naphthalen-1-yl)methanone.

Project description:In the title compound, C(19)H(14)ClNO(5), the aroyl group is attached to the naphthalene ring system with a non-coplanar configuration. The dihedral angle between naphthalene ring system and benzene ring is 70.62?(6)°. The nitro group is oriented in parallel with the adjacent carbonyl plane. The torsion angle of the carbonyl group and naphthalene ring is 54.68?(19)° (C-C-C-O), and that of nitro group and naphthalene ring is 54.26?(18)° (O-N-C-C). In the crystal, ?-? inter-actions between naphthalene systems [centroid-centroid distances = 3.5633?(9), 3,5634?(9), and 3.9758(9)?Å], C-H?O hydrogen bonds, inter-molecular N-O?Cl inter-actions [2.9937?(12)?Å] and C-H?? contacts are observed.

| S-EPMC3050249 | biostudies-other

Crystal structure of (E)-N-[(2-meth-oxy-naphthalen-1-yl)methyl-idene]-3-nitro-aniline.

Project description:In the title compound, C18H14N2O3, the dihedral angle between the naphthalene ring system and the benzene ring is 59.99 (13)°. A short intra-molecular C-H⋯N contact closes an S(6) ring. The nitro group is disordered over two orientations in a statistical ratio. In the crystal, weak C-H⋯O hydrogen bonds and very weak π-π stacking inter-actions [centroid-centroid separation = 3.9168 (17) Å] are observed.

| S-EPMC4719912 | 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