Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Diphenyl-3,4-dihydro-benzo[b][1,6]naphthyridine.

ABSTRACT: The title compound, C(24)H(18)N(2), is the first structural example containing the 3,4-dihydro-benzo[b][1,6]naphthyridine fragment. It was synthesized from 2,4,6,8-tetra-phenyl-3,7-diaza-bicyclo-[3.3.1]nonan-9-one and was crystallized from a methanol-ethanol solution over two years as a racemate. The C=N double bond [1.2868?(15)?Å] is bent significantly out of the plane of the aromatic bicyclic ring system [N-C-C-C = -157.63?(12)°] and out of the plane of the phenyl ring bonded at the 1-position [N-C-C-C = 41.15?(16)°].

SUBMITTER: Seebacher W

PROVIDER: S-EPMC2979077 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,3-Diphenyl-3,4-dihydro-benzo[b][1,6]naphthyridine.

Seebacher Werner W Weis Robert R Saf Robert R Belaj Ferdinand F

Acta crystallographica. Section E, Structure reports online 20100417 Pt 5

The title compound, C(24)H(18)N(2), is the first structural example containing the 3,4-dihydro-benzo[b][1,6]naphthyridine fragment. It was synthesized from 2,4,6,8-tetra-phenyl-3,7-diaza-bicyclo-[3.3.1]nonan-9-one and was crystallized from a methanol-ethanol solution over two years as a racemate. The C=N double bond [1.2868 (15) Å] is bent significantly out of the plane of the aromatic bicyclic ring system [N-C-C-C = -157.63 (12)°] and out of the plane of the phenyl ring bonded at the 1-position ...[more]

PMID: 21579165

Similar Datasets

4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole.

Project description:The title compound, C(30)H(24)N(4), contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003?(1) and 0.066?(1)?Å and make a dihedral angle of 73.43?(6)°. The two pyrazole rings make dihedral angles of 40.08?(6), 9.28?(6), 15.78?(8) and 17.25?(7)° with their attached phenyl rings. In the crystal, there are no significant inter-molecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C-H?? inter-actions.

| S-EPMC3247563 | biostudies-literature

1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one.

Project description:In the title pyrazolone derivative, C(15)H(12)N(2)O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supra-molecular layers are formed in the crystal structure via C-H⋯O and C-H⋯N inter-actions, and these are assembled into double layers by C-H⋯π and π-π inter-actions between the pyrazole and C-bound benzene rings [ring centroid-centroid distance = 3.6476 (12) Å]. The double layers stack along the a axis being connected by π-π inter-actions between the N- and C-bound benzene rings [ring centroid-centroid distance = 3.7718 (12) Å].

| S-EPMC3343981 | biostudies-literature

3,4-Di-hydro-1H-benzo[c]chromene-1,6(2H)-dione.

Project description:In the title compound, C13H10O3, the pyran-one and benzene rings are almost coplanar, making a dihedral angle of 1.9?(1)°. The cyclo-hexenone ring adopts an envelope conformation, with a methyl-ene C atom located at the flap and displaced by 0.639?(3)?Å from the mean plane of the other five atoms. In the crystal, pairs of weak C-H?? inter-actions occur between inversion-related mol-ecules.

| S-EPMC3648281 | biostudies-literature

6-Allyl-8-meth-oxy-3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazine.

Project description:In the title compound, C(18)H(19)NO(2), the allyl group is disordered over two sets of sites [occupancy ratio 0.662?(4):0.338?(4)]. The dihedral angle between the phenyl and benzene rings is 87.44?(10)°. The oxazinane ring adopts a sofa conformation.

| S-EPMC3213503 | biostudies-other

1-[4-(4-Chloro-phen-yl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6-dihydro-pyridazin-1-yl)propan-1-one.

Project description:In the title compound, C(29)H(27)ClN(4)O(2), the six-membered ring of the pyridazine group is nearly planar [maximum deviation = -0.062 (2) Å] and its mean plane makes dihedral angles of 43.05 (9), 44.71 (10) and 72.57 (9)°, respectively, with the two phenyl and benzene rings. The piperazine ring has a chair conformation and its mean plane is almost perpendicular to the attached benzene ring, with a dihedral angle of 83.20 (16)°. In the crystal, mol-ecules are linked via two pairs of C-H⋯O inter-actions, which result in the formation of chains propagating along [10-1]. Neighbouring chains are linked via C-H⋯π inter-actions.

| S-EPMC3435734 | biostudies-literature

2-Benzyl-1,3-diphenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine.

Project description:In the title compound, C(31)H(25)NO, the oxazine ring adopts a half-chair conformation. The dihedral angles between the phenyl rings and the naphthyl ring system are 70.89?(8), 37.34?(10) and 9.42?(10)°. The crystal structure is stabilized by an aromatic ?-? stacking inter-action, with a centroid-centroid distance of 3.879?(3)?Å.

| S-EPMC2977269 | biostudies-literature

8-Bromo-1,3-diphenyl-2,3-dihydro-1H-naphtho-[1,2-e][1,3]oxazine.

Project description:The title compound, C(24)H(18)BrNO, consists of an envelope-configured oxazine ring with a fused 8-bromo-1,3-diphenyl group and two bonded phenyl rings. The dihedral angles between the mean planes of the 8-bromo-1,3-diphenyl and the phenyl rings are 54.5?(6) and 87.4?(8)°, respectively. The oxazine is essentially coplanar with the 8-bromo-1,3-diphenyl [dihedral angle = 9.4?(1)°]. Weak C-H?? inter-actions contribute to the crystal packing.

| S-EPMC3007280 | biostudies-literature

2-Butyl-1,3-diphenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine.

Project description:In the title compound, C(28)H(27)NO, the oxazine ring adopts a half-chair conformation. The dihedral angles between the phenyl rings and the naphthyl ring system are 15.34?(1) and 76.51?(1)°.

| S-EPMC2959405 | biostudies-literature

2,4-Diphenyl-6-trifluoro-methyl-2,3-dihydro-1H,5H-pyrrolo-[3,4-c]pyrrole-1,3-dione.

Project description:The asymmetric unit of the title compound, C(19)H(11)F(3)N(2)O(2), contains two crystallographically unique mol-ecules which differ in the rotation of a phenyl ring and a -CF(3) substituent. The dihedral angles involving the pyrrole ring and the attached phenyl ring are 62.82?(8) and 71.54?(7)° in the two molecules. The difference in the rotation of the CF(3) groups with respect to the pyrrolo rings to which they are attached is 23.5(1)°. For one mol-ecule, there is a close contact between an H atom and the centroid of the phenyl ring of an adjacent mol-ecule (2.572?Å). A similar contact is lacking in the second mol-ecule. In the crystal, N-H?O inter-actions connect adjacent mol-ecules into a chain normal to (01[Formula: see text]). Crystallographically unique mol-ecules alternate along the hydrogen-bonded chains.

| S-EPMC3275242 | biostudies-other

1,3-Diphenyl-8-trifluoro-methyl-1H-pyrazolo-[3,4-b]quinoline.

Project description:The 1H-pyrazolo-[3,4-b]quinoline (PQ) core of the title mol-ecule, C(23)H(14)F(3)N(3), is aromatic and essentially planar (r.m.s. deviation = 0.015 Å) and the two phenyl substituents at positions 1 and 3 are twisted relative to this fragment by 29.74 (7) and 25.63 (7)°, respectively. In the crystal, mol-ecules are arranged along the b axis into stacks via π-π inter-actions, with an inter-planar distance of the PQ core of 3.489 (4) Å.

| S-EPMC3394066 | 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