Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,8,9,10-Tetra-kis(4-fluoro-phen-yl)-1,3-diaza-tricyclo-[3.3.1.1]decan-6-one.

ABSTRACT: In the title compound, C(32)H(24)F(4)N(2)O, all four six-membered rings that constitute the diaza-adamantanone cage adopt chair conformations. Two of the four fluoro-phenyl substituents occupy axial positions and the other two occupy equatorial positions relative to their respective C(5)N rings of the adamantane framework. The crystal structure is stabilized by C-H?O inter-actions, generating a C(5) chain along the a axis.

SUBMITTER: Natarajan S

PROVIDER: S-EPMC2969218 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,8,9,10-Tetra-kis(4-fluoro-phen-yl)-1,3-diaza-tricyclo-[3.3.1.1]decan-6-one.

Natarajan S S Priya V Sudha VS Vijayakumar V V Suresh J J Lakshman P L Nilantha PL

Acta crystallographica. Section E, Structure reports online 20090610 Pt 7

In the title compound, C(32)H(24)F(4)N(2)O, all four six-membered rings that constitute the diaza-adamantanone cage adopt chair conformations. Two of the four fluoro-phenyl substituents occupy axial positions and the other two occupy equatorial positions relative to their respective C(5)N rings of the adamantane framework. The crystal structure is stabilized by C-H⋯O inter-actions, generating a C(5) chain along the a axis. ...[more]

PMID: 21582820

Similar Datasets

2,4,6,8-Tetra-kis(4-fluoro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Project description:In the title compound, C(31)H(24)F(4)N(2)O, the bicyclo-[3.3.1]nonane ring exists in a chair-boat conformation. Two of the four fluorine-substituted rings adopt equatorial dispositions with the piperidin-4-one rings. Mol-ecules are linked into a two-dimensional network parallel to (01) by N-H⋯O, C-H⋯F and C-H⋯O hydrogen bonds. Inter-molecular N-H⋯π and C-H⋯π inter-actions are also observed.

| S-EPMC2960046 | biostudies-literature

(3aRS,4SR,7RS,7aSR)-2-(Tricyclo-[3.3.1.1]decan-1-yl)-4,5,6,7-tetra-hydro-4,7-epoxy-isoindoline-1,3-dione.

Project description:The title compound, C(18)H(23)NO(3), the adamantane derivative of norcantharidin, which is itself derived from cantharidin, crystallized with three independent mol-ecules in the asymmetric unit. In the crystal, mol-ecules are linked by inter-molecular C-H?O inter-actions, leading to the formation of a supra-molecular two-dimensional network.

| S-EPMC2979399 | biostudies-literature

2,4,6,8-Tetra-kis(2-fluoro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Project description:The title compound, C(31)H(24)F(4)N(2)O, exists in a chair-boat conformation with an equatorial orientation of the 2-fluoro-phenyl groups on both sides of the secondary amino group of the chair form. The benzene rings in the 'chair' part are inclined to each other at 19.4?(1)°, while the equivalent angle between the benzene rings in the 'boat' part is 75.6?(1)°. One F atom was treated as disordered over two positions in a 0.838?(4):0.162?(4) ratio. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains along [001] and these chains are held together via weak N-H?F and C-H?F inter-actions.

| S-EPMC3569241 | biostudies-other

2,4,6,8-Tetra-kis(4-ethyl-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Project description:The bicyclo-[3.3.1]nonane ring in the title compound, C(39)H(44)N(2)O, adopts a chair-boat conformation with the four benzene rings being directed away from the carbonyl group. The presence of C-H?O contacts leads to helical supra-molecular chains along the b axis.

| S-EPMC2979421 | biostudies-literature

N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-methyl-benzamide.

Project description:In the title compound, C(24)H(26)FN(3)O(4), the two aromatic rings form a dihedral angle of 88.81?(15)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.041?(2)?Å. The crystal structure displays inter-molecular C-H?O and N-H?O hydrogen bonds.

| S-EPMC3120289 | biostudies-literature

4-Nitro-2-{[(tricyclo-[3.3.1.1(3,7)]decan-1-yl)iminium-yl]meth-yl}phenolate.

Project description:The title compound, C(17)H(20)N(2)O(3), is a Schiff base, which is found as a zwitterion in the solid state. The geometry around the iminium N atom indicates sp(2)-hybridization. The zwitterion shows a strong intra-molecular N-H?O hydrogen-bond inter-action between the iminium N atom and the phenolate O atom.

| S-EPMC3344155 | biostudies-literature

Tetra-kis(diethyl ether)tetra-?(4)-oxido-octa-kis-(penta-fluoro-phen-yl)octa-zinc.

Project description:Mol-ecules of the title compound, [Zn(8)(C(6)F(5))(8)O(4)(C(4)H(10)O)(4)], are located on a special position of site symmetry [Formula: see text]. As a result, there is just one quarter-mol-ecule in the asymmetric unit. The title compound features a Zn(4)O(4) cube. Each Zn atom in the cube carries a pentafluorophenyl substituent. Each O atom is bonded to a further Zn atom, which is connected to a pentafluorophenyl substituent and the O atom of a diethyl ether mol-ecule. All ether C atoms are disordered over two sets of sites with a site occupation factor of 0.51?(2) for the major occupied site.

| S-EPMC3201485 | biostudies-literature

N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C(23)H(26)FN(3)O(6)S, the two terminal aromatic rings form a dihedral angle of 49.26?(12)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.0456?(19)?Å. The dihedral angles between the five-membered ring and the meth-oxy-benzene and fluoro-benzene rings are 33.56?(11) and 81.94?(12)°, respectively. The crystal structure displays N-H?O hydrogen bonds as well as weak inter-molecular C-H?O inter-actions.

| S-EPMC3254531 | biostudies-literature

1-Methyl-1-azonia-3,5-diaza-7-phosphatricyclo-[3.3.1.1]decane tetra-fluoro-borate.

Project description:The title compound, C(7)H(15)N(3)P(+)·BF(4) (-) or [PTA-Me][BF(4)], is the N-methyl-ated derivative of the well known water-soluble amino-phosphine 1,3,5-triaza-7-phosphaadamantane (PTA). The asymmetric unit consists of a cage-like cation [PTA-Me](+) and a disordered tetra-fluoro-borate anion; two F atoms are disordered equally over two sites. A network of weak inter-molecular C-H?F hydrogen bonds results in a three-dimensional supra-molecular assembly.

| S-EPMC2960824 | biostudies-other

1-Methyl-1-azonia-3,5-diaza-7-phospha-tricyclo-[3.3.1.1]decane 7-oxide triiodide.

Project description:The title compound, C(7)H(15)N(3)OP(+)·I(3) (-), is a derivative of the well known water-soluble amino-phosphine 1,3,5-triaza-7-phosphaadamantane (PTA). The crystal structure is composed of a cage-like 1-methyl-1-azonia-3,5-diaza-7-phospha-tricyclo-[3.3.1.1]decane 7-oxide cation and a triiodide anion. The N-methyl-ation of the PTA cage results in a slight elongation of the corresponding C-N bonds, while the oxidation of the P atom leads to a slight shortening of the C-P bonds in comparison with those of PTA. In general, most of the bonding parameters are comparable with those reported for related compounds bearing the PTA core. Two inter-molecular C-H?O hydrogen bonds between methyl-ene groups and the P=O group are responsible for the linkage of neighbouring cations into linear one-dimensional hydrogen-bonded chains.

| S-EPMC2960408 | 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