Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

7-(2-Chloro-phen-yl)-2,6,9-trimethyl-dibenzo[b,h][1,6]naphthyridine.

ABSTRACT: In the title compound, C(25)H(19)ClN(2), the dibenzo[b,h][1,6]naphthyridine system is planar to within 0.16 (2) Å, and the chloro-phenyl ring is inclined to it by 82.53 (7)°. In the crystal, mol-ecules are linked by C-H⋯N hydrogen bonds, forming chains propagating in [100]. There are also a number of weak π-π stacking inter-actions present [centroid-centroid distances = 3.8531 (1) and 3.7631 (1) Å].

SUBMITTER: Vennila KN

PROVIDER: S-EPMC3007939 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis(trimethyl-phenyl-ammonium) tetra-bromidobis(4-chloro-phen-yl)stannate(IV).

Project description:The Sn(IV) atom in the title salt, [N(CH(3))(3)(C(6)H(5))](2)[SnBr(4)(C(6)H(4)Cl)(2)], exists in a distorted all-trans SnC(2)Br(4) octa-hedral geometry. The Sn(IV) atom lies on a center of inversion. Weak inter-molecular C-H⋯Br hydrogen bonding is observed between trimethyl-phenyl-ammonium cations and the Sn complex anion in the crystal structure.

| S-EPMC2971998 | biostudies-literature

[8-(4-Chloro-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl](2,4,6-trimethyl-phen-yl)methanone.

Project description:In the title compound, C(29)H(25)ClO(4), the dihedral angle between the benzene rings of the 2,4,6-trimethyl-benzoyl group and the 4-chloro-benzoyl group is 65.19 (9)°. The dihedral angles between the naphthalene ring system and the benzene rings of the 2,4,6-trimethyl-benzoyl group and the 4-chloro-benzoyl group are 85.66 (8) and 69.48 (8)°, respectively. In the crystal, two types of inter-molecular C-H⋯O inter-actions and an intra-molecular C-H⋯O inter-action are observed. Moreover, there is a short intra-molecular C=O⋯C=O contact of 2.614 (2) Å between the benzoyl substituents.

| S-EPMC3297949 | biostudies-literature

(E,E,E)-1,6-Bis(4-chloro-phen-yl)hexa-1,3,5-triene.

Project description:The title mol-ecule, C18H14Cl2, lies about an inversion centre. The hexa-triene chain is planar with a maximum deviation of 0.0001?(17)?Å. The torsion angle of the single bond between the chain and the benzene ring is -168.49?(17)°. In the crystal, the shortest inter-molecular distance between the Cl atoms is 4.0785?(11)?Å.

| S-EPMC3648235 | biostudies-literature

2,9-Dimethyl-7-phenyl-N-(4-methyl-phen-yl)dibenzo[b,h][1,6]naphthyridin-6-amine.

Project description:The title compound, C(31)H(25)N(3), was synthesized from 6,4',4''-trimethyl-2,4-bis-(N-phenyl-amino)-quinoline and is the first structural example containing a phenyl and phenyl-amino fragment attached to a fused dibenzo[1,6]naphthyridine moiety. The fused tetra-cyclic ring system is essentially planar [r.m.s. deviation = 0.08?(3)?Å]. The phenyl ring and the phenyl-amino group are inclined by 82.68?(6) and 35.31?(5)°, respectively, to the mean plane of the fused tetra-cyclic ring system. A weak intra-molecular N-H??(arene) inter-action may in part influence the conformation of the mol-ecule. In the crystal, mol-ecules are linked by weak inter-molecular C-H?N hydrogen bonds into centrosymmetric dimers. Additional stabilization is provided by weak C-H?? and ?-? stacking inter-actions [centroid-centroid distances = 3.834?(2) and 3.898?(1)?Å].

| S-EPMC3050252 | biostudies-literature

1-(4-Chloro-phen-yl)-4,4,6-trimethyl-3,4-dihydro-pyrimidine-2(1H)-thione.

Project description:The dihydro-pyrimidine ring of the title compound, C(13)H(15)ClN(2)S, adopts an envelope conformation with five almost coplanar atoms (r.m.s. deviation = 0.054?Å) and the C atom bearing the two methyl substituents deviating from this plane by 0.441?(2)?Å. The best plane through the five almost coplanar atoms forms a dihedral angle of 89.56?(5)° with the benzene ring. The crystal packing is characterized by centrosymmetric dimers connected by pairs of N-H?S hydrogen bonds.

| S-EPMC2979773 | biostudies-literature

1-(3-Chloro-phen-yl)-4,4,6-trimethyl-3,4-dihydro-pyrimidine-2(1H)-thione.

Project description:In the title compound, C(13)H(15)ClN(2)S, the dihydro-pyrimidine ring is essentially planar, with a maximum deviation from the least-squares plane of 0.122 (3) Å for the unsubstitued olefinic C atom. The dihedral angle between the dihydro-pyrimidine and benzene rings is 86.62 (13)°. The crystal structure is stabilized by inter-molecular N-H⋯S hydrogen bonds, which form centrosymmetric dimers arranged along the c axis.

| S-EPMC3051597 | biostudies-literature

3,11-Dibromo-14-(4-chloro-phen-yl)-14H-dibenzo[a,j]xanthene dimethyl-formamide monosolvate.

Project description:In the title compound, C(27)H(15)Br(2)ClO·C(3)H(7)NO, the xanthene moiety has a flattened boat conformation with a folding angle between the naphthalene units of 9.46 (3)°. The mean planes of the xanthene system and its 4-chloro-phenyl substituent are nearly perpendicular [dihedral angle = 89.43 (5)°]. The dimethyl-formamide solvent mol-ecule is disordered over two sets of sites with an occupancy ratio of 0.520 (11):0.480 (11).

| S-EPMC3344574 | biostudies-literature

Trimethyl 5-(2-chloro-4-fluoro-phen-yl)-2-phenyl-pyrrolidine-2,3,4-tricarboxyl-ate.

Project description:The title compound, C(22)H(21)ClFNO(6), was synthesized by the 1,3-dipolar cyclo-addition reaction of dimethyl maleate, methyl 2-amino-2-phenyl-acetate and 2-chloro-4-fluoro-benzaldehyde. The pyrrolidine ring possesses an envelope conformation and the two benzene rings are oriented at a dihedral angle of 68.28?(7)°. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure. One methyl group is disordered over two positions with a site-occupancy ratio of 0.651?(12):0.349?(12).

| S-EPMC2971169 | biostudies-literature

1-[3-(4-Chloro-phen-yl)-6-methyl-1,6-di-hydro-1,2,4,5-tetra-zin-1-yl]ethanone.

Project description:In the title compound, C(11)H(11)ClN(4)O, the tetra-zine ring adopts a non-symmetrical boat conformation. The crystal packing exhibits relatively short inter-molecular C?N contacts of 3.118?(3)?Å.

| S-EPMC2983429 | biostudies-literature

1,6-Bis(chloro-meth-yl)pyridine.

Project description:In the title compound, C(7)H(7)Cl(2)N, a halogenated derivative of 2,6-lutidine, the C-Cl vectors of the chloro-methyl groups point at opposite sides of the aromatic plane to each other. A weak dispersive Cl⋯Cl contact [3.4342 (3) Å] connects the mol-ecules into a chain along the [101] direction. A π-π inter-action with a centroid-centroid distance of 3.7481 (5) Å is also observed.

| S-EPMC3151947 | 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