Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

7α,15α-Dibromo-8,16-diphenyl-6,7,14,15-tetra-hydro-6α,14α-epithio-cyclo-octa-[1,2-b:5,6-b']diquinoline deuterochloro-form solvate.

ABSTRACT: In the racemic title compound, C(34)H(22)Br(2)N(2)S·CDCl(3), pairs of diquinoline host mol-ecules form centrosymmetric brick-like dimers utilizing three different aryl edge-to-face inter-actions (EF(1-3)). The dimeric (EF)(6) (i.e. 2 × EF(1-3)) building blocks pack with the deuterochloro-form guest mol-ecules positioned near each of their corners. The Cl atoms of the latter are disordered over two sets of sites in a 0.53 (2):0.47 (2) ratio.

SUBMITTER: Chan IY

PROVIDER: S-EPMC2969924 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

7α,15α-Dibromo-8,16-diphenyl-6,7,14,15-tetra-hydro-6α,14α-epithio-cyclo-octa-[1,2-b:5,6-b']diquinoline deuterochloro-form solvate.

Chan Isa Y H IY Bishop Roger R Craig Donald C DC Bhadbhade Mohan M MM Scudder Marcia L ML

Acta crystallographica. Section E, Structure reports online 20090826 Pt 9

In the racemic title compound, C(34)H(22)Br(2)N(2)S·CDCl(3), pairs of diquinoline host mol-ecules form centrosymmetric brick-like dimers utilizing three different aryl edge-to-face inter-actions (EF(1-3)). The dimeric (EF)(6) (i.e. 2 × EF(1-3)) building blocks pack with the deuterochloro-form guest mol-ecules positioned near each of their corners. The Cl atoms of the latter are disordered over two sets of sites in a 0.53 (2):0.47 (2) ratio. ...[more]

PMID: 21577650

Similar Datasets

6α-Hy-droxy-5,6-dihydro-salviasperanol.

Project description:In the title compound, C(20)H(28)O(4), a diterpenoid isolated from the roots of Premna obtusifolia (Verbenaceae), the five-membered ring is in a half-chair conformation. One six-membered ring exists in a twisted-boat conformation while the other is in half-boat conformation. The crystal packing is stabilized by inter-molecular O-H⋯O and weak C-H⋯O inter-actions, generating (001) sheets.

| S-EPMC3009237 | biostudies-literature

8β-Acet-oxy-14α-benzo-yloxy-N-methyl-13β,15α-dihy-droxy-1α,6α,16β-trimeth-oxy-4β-(meth-oxy-meth-yl)aconitane: hypaconitine isolated from 'fuzi'.

Project description:The title compound, C(33)H(45)NO(10), has an aconitine carbon skeleton with four six-membered rings and two five-membered rings. The five-membered rings adopt envelope configurations and the six-membered N-containing heterocyclic ring displays a chair conformation. Two intra-molecular O-H⋯O hydrogen bonds occur.

| S-EPMC3009068 | biostudies-literature

8β-Acet-oxy-14α-benzo-yloxy-N-ethyl-3α,10β,13β,15α-tetra-hydr-oxy-1α,6α,16β-trimeth-oxy-4β-(methoxy-methyl-ene)aconitane: aconifine from Aconitum karakolicum Rapaics.

Project description:The title compound, C(34)H(47)NO(12), is the norditerpenoid alkaloid aconifine isolated from the leaves and tubers of Aconitum karakolicum Rapaics. It has a lycoctonine carbon skeleton and contains four six-membered rings and two five-membered rings; its geometry is similar to that observed in other lycoctonine-type diterpenoid alkaloids. There are two intra-molecular O-H⋯O hydrogen bonds which close five- and seven-membered pseudo-rings, respectively. In the crystal, two inter-molecular O-H⋯O hydrogen bonds cross-link the mol-ecules into double chains along the a axis.

| S-EPMC2969206 | biostudies-literature

[1R-(1α,2α,4α,5β,6α,7α)]-4-Benzoyl-oxymethyl-5,6-dihy-droxy-3,8-dioxa-tricyclo-[5.1.0.0]octan-5-yl acetate (3-deacetyl-crotepoxide) from Kaempferia rotunda Val.

Project description:The title compound, C(16)H(16)O(7), isolated from Kaempferia rotunda rhizomes, features a six-membered cyclo-hexane ring that adopts a twisted-boat conformation owing to the presence of two adjacent epoxide attachments that lock in four of the six axial positions. The CH(3)CO(2)- and HO- substituents occupy equatorial positions. However, the bond angles at the ring carbon connected to the C(6)H(5)CO(2)CH(2)- substituent deviate signifcantly from the idealized tetra-hedral angles as the carbon atom is part of an epoxide ring. In the crystal, the molecules are linked into chains by O-H⋯O hydrogen bonds.

| S-EPMC3009124 | biostudies-literature

5,6-Diphenyl-pyrazine-2,3-dicarbonitrile.

Project description:In the title compound, C(18)H(10)N(4), the pyrazine ring is oriented at dihedral angles of 48.08 (7) and 44.80 (7)° with respect to the phenyl rings, while the dihedral angle between the phenyl rings is 49.47 (7)°. In the crystal structure, weak π-π contacts between pyrazine and phenyl rings [centroid-centroid distance = 3.813 (1) Å] may stabilize the structure.

| S-EPMC2970004 | biostudies-literature

trans-5,6-Diphenyl-perhydro-pyran-2,4-dione.

Project description:In the title compound, C(17)H(14)O(3), the pyran ring adopts a boat conformation and the dihedral angle between the aromatic ring planes is 59.1 (1)°. In the crystal structure inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions link the mol-ecules.

| S-EPMC2968273 | biostudies-literature

5,6-Diphenyl-3-(3-pyrid-yl)-1,2,4-triazine.

Project description:In the mol-ecule of the title compound, C(20)H(14)N(4), the triazine ring is attached to two phenyl rings and one pyridine ring. In the crystal, mol-ecules are linked by inter-molecular C-H⋯N hydrogen bonds. The crystal packing is also stabilized by C-H⋯π inter-actions.

| S-EPMC2979911 | biostudies-literature

2-(5,6-Diphenyl-1,2,4-triazin-3-yl)aniline.

Project description:The title compound, C21H16N4, obtained under standard Suzuki cross-coupling conditions, is a model compound in the synthesis and biological activity evaluation of new aza-analogues of sildenafil containing a pyrazolo-[4,3-e][1,2,4]triazine system. An N-H⋯N intra-molecular hydrogen bond involving the amino-benzene system and the 1,2,4-triazine moiety helps to establish a near coplanar orientation of the rings with a dihedral angle of 12.04 (4)°, which is believed to be necessary for the biological activity of sildenafil analogues. The 1,2,4-triazine ring is slightly distorted from planarity [r.m.s deviation = 0.0299 (11) Å] and forms dihedral angles of 58.60 (4) and 36.35 (3)° with the pendant phenyl rings. The crystal packing features bifurcated N-H⋯(N,N) hydrogen bonds linking screw-axis-related mol-ecules into chains parallel to the [010] direction and π-π inter-actions, with a centroid-centroid separation of 3.8722 (7) Å and a slippage of 1.412 (3) Å. The crystal studied was a nonmerohedral twin with a ratio of 0.707 (2):0293 (2).

| S-EPMC3588826 | biostudies-literature

7-Iodo-3,3-diphenyl-octa-hydro-benzo-furan.

Project description:The title compound, C20H21IO, was synthesized by cyclo-haloetherification of 2-(cyclo-hex-2-en-yl)-2,2-diphenyl-ethanol in CH2Cl2, and crystallized with two independent mol-ecules in the asymmetric unit. The six-membered cyclo-hexane ring adopts a chair conformation, while the five-membered ring adopts an envelope conformation with the fused C atom opposite the O atom as the flap in each case [displacements of the flap atoms = 0.6813 (3) and 0.6679 (3) Å]. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions, forming inversion dimers.

| S-EPMC3629630 | biostudies-literature

3-Bromo-N'-(3,5-dibromo-2-hydroxy-benzyl-idene)benzohydrazide methanol solvate.

Project description:The title compound, C(14)H(9)Br(3)N(2)O(2)·CH(4)O, was prepared by the reaction of 3,5-dibromo-2-hydroxy-benzaldehyde and 3-bromo-benzohydrazide in methanol. The asymmetric unit of the crystal consists of a Schiff base mol-ecule and a methanol mol-ecule of crystallization. The dihedral angle between the two benzene rings is 5.5 (2)°. An intra-molecular O-H⋯N hydrogen bond is observed. In the crystal structure, pairs of adjacent Schiff base mol-ecules are linked by two methanol mol-ecules through inter-molecular N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2968809 | 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