Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2-Dichloro-1-(3,3,6-trimethyl-9-oxo-1,5-diaza-bicyclo-[4.3.0]nonan-5-yl)ethanone.

ABSTRACT: In the title mol-ecule, C(12)H(18)Cl(2)N(2)O(2), the six-membered ring is in a chair conformation and the five-membered ring is in an envelope conformation. In the crystal, weak inter-molecular bifurcated (C-H)(2)?O hydrogen bonds connect mol-ecules into chains along [010].

SUBMITTER: Fu Y

PROVIDER: S-EPMC3213472 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2-Dichloro-1-(3,3,6-trimethyl-9-oxo-1,5-diaza-bicyclo-[4.3.0]nonan-5-yl)ethanone.

Fu Ying Y Ye Fei F

Acta crystallographica. Section E, Structure reports online 20110713 Pt 8

In the title mol-ecule, C(12)H(18)Cl(2)N(2)O(2), the six-membered ring is in a chair conformation and the five-membered ring is in an envelope conformation. In the crystal, weak inter-molecular bifurcated (C-H)(2)⋯O hydrogen bonds connect mol-ecules into chains along [010]. ...[more]

PMID: 22091051

Similar Datasets

syn-3-(4-Chloro-benz-yl)-1,5-dimethyl-3,7-diaza-bicyclo-[3.3.1]nonan-9-ol.

Project description:In the title compound, C(16)H(23)ClN(2)O, both six-membered rings adopt chair conformations, thus allowing the formation of an intra-molecular N-H?N hydrogen bond. In the crystal, adjacent mol-ecules are combined into chains running along the ac diagonal via O-H?N hydrogen bonds.

| S-EPMC3414303 | biostudies-literature

8-Thia-1,6-diaza-bicyclo-[4.3.0]nonane-7,9-dione.

Project description:There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(6)H(8)N(2)O(2)S. In the crystal, pairs of inter-molecular S?O contacts [3.286?(1)?Å] link the B mol-ecules into inversion dimers.

| S-EPMC3201436 | biostudies-literature

3-Nitroso-2,4,6,8-tetra-phenyl-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Project description:In the title compound, C(31)H(27)N(3)O(2), the two piperidine rings fused to each other each adopt a slightly distorted chair conformation. The phenyl rings on the N-unsubstituted piperidine ring occupy an equatorial position, while those on the N-nitroso-substituted piperidine ring are in axial positions. The NO group is approximately coplanar with the piperidine ring with a maximum deviation of 0.048?(4)?Å. The dihedral angles between the mean planes of the axially and equatorially oriented phenyl rings are 27.7?(1) and 31.9?(1)°, respectively. Mol-ecular packing is stabilized by weak inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC3152129 | biostudies-literature

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

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

2,2-Dichloro-1-(4-methyl-phen-yl)ethanone.

Project description:The mol-ecule of the title compound, C(9)H(8)Cl(2)O, is almost planar: the dihedral angle between the benzene ring and the plane defined by the carbonyl O and ethane C atoms is 15.5 (2)°. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3051582 | biostudies-literature

2,4-Bis(furan-2-yl)-1,5-dimethyl-3-aza-bicyclo-[3.3.1]nonan-9-one.

Project description:In the title compound, C18H21NO3, the bicyclic ring system adopts a twin-chair conformation. The two methyl groups attached to the bicycle are in an equatorial orientation for both rings. One of the furan rings is disordered over two orientations with an occupancy ratio of 0.686?(6):0.314?(6). In the crystal, very long N-H?O hydrogen bonds connect the mol-ecules into a chain perpendicular to the ac plane.

| S-EPMC3648293 | biostudies-literature

(Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza-bicyclo-[4.2.0]octane-2,4-dione.

Project description:The title compound, C(20)H(20)N(2)O(3), is a head-to-tail oxetane, one of the regioisomers obtained by the the Paternó-Büchi reaction of 1,3-dimethyl-thymine with benzophenone. The oxetane ring is folded, the dihedral angle between the C-O-C and C-C-C planes being 14.4 (2)°. The dihedral angle between the two phenyl rings is 64.3 (2)°. The pyrimidine ring adopts a boat conformation. The crystal structure involves weak C-H⋯O hydrogen bonds.

| S-EPMC2961230 | biostudies-literature

Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy-methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi-cyclo-[4.3.0]nonan-9-yl]acetamide.

Project description:In the title compound, C12H19NO6, the six-membered 1,3-dioxane ring adopts a chair-like conformation. The seat of this chair, containing two O atoms, is essentially planar, with a maximum deviation of 0.0021?(12)?Å. The five-membered oxolane ring cis-fused to the 1,3-dioxane ring adopts an envelope form. The bridgehead C atom at the flap, which is bonded to the tetra-substituted C atom of the oxolane ring, deviates from the mean plane of other ring atoms by 0.539?(4)?Å. In the crystal, classical O-H?O and N-H?O hydrogen bonds link the mol-ecules into a sheet structure enclosing an R 4 (4)(24) graph-set motif. Weak inter-molecular C-H?O inter-actions support the sheet formation.

| S-EPMC4908510 | biostudies-other

2,4,6,8-Tetra-kis(4-chloro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one O-benzyl-oxime acetone monosolvate.

Project description:In the title compound, C(38)H(31)Cl(4)N(3)O·C(3)H(6)O, the 3,7-diaza-bicycle exists in a chair-boat conformation. The 4-chloro-phenyl groups attached to the chair form are equatorially oriented at an angle of 18.15 (3)° with respect to each other, whereas the 4-chloro-phenyl groups attached to the boat form are oriented at an angle of 32.64 (3)°. In the crystal, mol-ecules are linked by N-H⋯π and C-H⋯O inter-actions.

| S-EPMC3344591 | 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