Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

7-Acetyl-amino-2,4-dimethyl-1,8-naphthyridine.

ABSTRACT: The air-stable title compound, C(12)H(13)N(3)O, which is of inter-est due to its anti-bacterial properties, is an almost planar mol-ecule in which the ten atoms forming the 1,8-naphthyridine ring have an r.m.s. deviation of 0.03 Å from the least-squares plane calculated using the ten atoms. The plane of the acetyl-amino group is slightly inclined [11.7 (2)°] to the plane of the 1,8-naphthyridine ring.

SUBMITTER: Wang DH

PROVIDER: S-EPMC2915183 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

7-Acetyl-amino-2,4-dimethyl-1,8-naphthyridine.

Wang De-Hui DH Yu Yao-Ming YM Chen Jian-Hua JH Fu Wen-Fu WF

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The air-stable title compound, C(12)H(13)N(3)O, which is of inter-est due to its anti-bacterial properties, is an almost planar mol-ecule in which the ten atoms forming the 1,8-naphthyridine ring have an r.m.s. deviation of 0.03 Å from the least-squares plane calculated using the ten atoms. The plane of the acetyl-amino group is slightly inclined [11.7 (2)°] to the plane of the 1,8-naphthyridine ring. ...[more]

PMID: 21200676

Similar Datasets

Bis(7-amino-2,4-dimethyl-1,8-naphthyridine)dinitratocadmium(II).

Project description:In the title compound, [Cd(NO(3))(2)(C(10)H(11)N(3))(2)], two naph-thyridine ring systems are coordinated to the Cd ion through the two N atoms in a bidentate chelating mode, whereas the remaining coordination sites are occupied by two O atoms from two different nitrate groups to complete the octahedral geometry. Inter-moleular N-H?O hydrogen bonds link the mol-ecules to form a one-dimensionnal sheet parallel to the ac plane. Weak slipped ?-? stacking involving the naphthyridine ring systems stabilizes the structure.

| S-EPMC2914938 | biostudies-literature

Dichloridobis(7-amino-2,4-dimethyl-1,8-naphthyridine-κN,N')cobalt(II) methanol disolvate.

Project description:The title compound, [CoCl(2)(C(10)H(11)N(3))(2)]·2CH(3)OH, crystallizes with an elongated Co coordination polyhedron in a very distorted octa-hedral geometry. Both naphthyridine ligands coordinate to the Co atom via two N atoms in a bidentate chelating mode. The remaining coordination sites are occupied by two Cl atoms. Two uncoordinated solvent methanol mol-ecules are hydrogen bonded to the Cl atoms. Additional N-H⋯O, C-H⋯Cl and N-H⋯Cl hydrogen bonds, and π-π stacking inter-actions [centroid-centroid distance 3.664 (4) Å], give rise to a three-dimensional network structure.

| S-EPMC2915083 | biostudies-literature

7-[4-(5,7-Dimethyl-1,8-naphthyridin-2-yl-oxy)phen-oxy]-2,4-dimethyl-1,8-naphthyridine methanol disolvate.

Project description:The title compound, C(26)H(22)N(4)O(2)·2CH(3)OH, was synthesized and characterized by (1)H NMR spectroscopy and X-ray structure analysis. There is one half-mol-ecule in the asymmetric unit with a centre of symmetry located at the centre of the benzene ring. The two bridged naphthyridine ring systems are in an anti-parallel orientation. In the crystal structure, O-H⋯N, C-H⋯O and C-H⋯N inter-actions define the packing.

| S-EPMC2915306 | biostudies-literature

2,7-Dimethyl-1,8-naphthyridine.

Project description:The asymmetric unit of the title compound, C(10)H(10)N(2), contains one half-mol-ecule with the two shared C atoms lying on a twofold rotation axis. The 1,8-naphthyridine is almost planar with a dihedral angle of 0.42?(3)° between the fused pyridine rings. In the crystal, mol-ecules are linked into infinite chains along the c axis by inter-molecular C-H?N hydrogen bonds, generating R(2) (2)(8) ring motifs. In addition, the crystal structure is further stabilized by C-H?? inter-actions.

| S-EPMC2977386 | biostudies-literature

7-Hy-droxy-methyl-2-pivaloyl-amino-1,8-naphthyridine.

Project description:In the title compound, C14H17N3O2, the mean plane of the 1,8-naphthyridine ring system (r.m.s deviation = 0.020 Å) forms a dihedral angle of 23.4 (1)° with the acetamide moiety (r.m.s deviation = 0.001 Å). The mol-ecular structure is stabilized by an intra-molecular O-H⋯N hydrogen bond, which generates an S(5) ring motif. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯O hydrogen bonds, generating 18-membered R 2 (2)(18) ring motifs.

| S-EPMC3629533 | biostudies-literature

Ethyl 7-pivaloyl-amino-1,8-naphthyridine-2-carboxyl-ate sesquihydrate.

Project description:In the title hydrate, C(16)H(19)N(3)O(3)·1.5H(2)O, both water mol-ecules are disordered: one over two adjacent sites in a 0.498 (5):0.502 (5) ratio and one lying near a crystallographic twofold axis. The dihedral angle between the pyridine rings of the organic moleucle is 1.47 (6)°. In the crystal, the components are linked by N-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds, forming sheets lying parallel to the ac plane.

| S-EPMC3239052 | biostudies-literature

14-(2,3-Dichloro-phen-yl)-9,10-dimethyl-benzimidazo[1,2-a]benzo[f][1,8]naphthyridine-6-carbonitrile.

Project description:In the title compound, C(27)H(16)Cl(2)N(4), the benzimidazo[1,2-a]benzo[f][1,8]naphthyridine system is nearly planar (r.m.s. deviation for all non-H atoms = 0.033 Å). The dichloro-phenyl substituent is rotated by -67.5 (2)° from this plane. In the crystal structure, mol-ecules form stacks along the crystallographic (100) direction due to π-π stacking inter-actions with a centroid-centroid distance of 3.4283 (9) Å.

| S-EPMC2969033 | biostudies-literature

3-Acetyl-1-(2,4-dimethyl-phen-yl)thio-urea.

Project description:In the crystal structure of the title compound, C(11)H(14)N(2)OS, the two N-H bonds are anti to each other. There is an intramolecular N-H⋯O hydrogen bond generating an S(6) ring motif.In the crystal, mol-ecules are linked via N-H⋯S hydrogen bonds with an R(2) (2)(8) motif and N-H⋯O hydrogen bonds with an R(2) (2)(12) motif into chains running along [1-10].

| S-EPMC3414951 | biostudies-literature

2,7-Bis-(trichloro-meth-yl)-1,8-naphthyridine.

Project description:The complete mol-ecule of the title compound, C(10)H(4)Cl(6)N(2), is generated by crystallographic twofold symmetry, with two C atoms lying on the rotation axis; the 1,8-naphthyridine ring is almost planar with an r.m.s. deviation of 0.0002 Å. In the crystal structure, the mol-ecules are stacked in an anti-parallel manner along [001]. Short Cl⋯Cl [3.3502 (4)] and Cl⋯N [3.2004 (11)-3.2220 (10) Å] contacts are observed in the crystal structure.

| S-EPMC2983609 | biostudies-literature

Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxyl-ate.

Project description:In the title compound, C(16)H(17)NO(5), the dihydro-pyridine ring adopts a sofa conformation. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains running along the b axis.

| S-EPMC3295408 | 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