Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,9-Dioxa-1,3(1,2)-dibenzena-2(4,5)-1,3-oxazolidinacyclononaphane.

ABSTRACT: The oxazole ring in the title compound, C(20)H(23)NO(3), adopts an envelope conformation while the 12-membered ring is in a chair conformation. The dihedral angle between the benzene rings is 37.8?(1)°. The crystal structure displays inter-molecular C-H?O hydrogen bonding.

SUBMITTER: Balakrishnan B

PROVIDER: S-EPMC3051461 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,9-Dioxa-1,3(1,2)-dibenzena-2(4,5)-1,3-oxazolidinacyclononaphane.

Balakrishnan B B Seshadri P R PR Purushothaman S S Raghunathan R R

Acta crystallographica. Section E, Structure reports online 20110122 Pt 2

The oxazole ring in the title compound, C(20)H(23)NO(3), adopts an envelope conformation while the 12-membered ring is in a chair conformation. The dihedral angle between the benzene rings is 37.8 (1)°. The crystal structure displays inter-molecular C-H⋯O hydrogen bonding. ...[more]

PMID: 21523128

Similar Datasets

9,10-Dioxa-1,2-diaza-anthracene derivatives from tetrafluoropyridazine.

Project description:Reaction of tetrafluoropyridazine with catechol gives a tricyclic 9,10-dioxa-1,2-diaza-anthracene system by a sequential nucleophilic aromatic substitution ring annelation process, further extending the use of perfluoroheteroaromatic derivatives for the synthesis of unusual polyfunctional heterocyclic architectures. The tricyclic scaffold reacts with amines and sodium ethoxide providing a short series of functional 9,10-dioxa-1,2-diaza-anthracene systems.

| S-EPMC2887278 | biostudies-literature

4,5-Diamino-benzene-1,2-dicarbonitrile.

Project description:The mol-ecular skeleton of the title mol-ecule, C(8)H(6)N(4), is essentially planar [maximum deviation from the mean plane of 0.037 (2) Å]. All N atoms are involved in the formation of inter-molecular N-H⋯N hydrogen bonds. The crystal packing exhibits also dipole-dipole inter-actions between the cyano groups of neighbouring mol-ecules [C⋯C 3.473 (2) Å].

| S-EPMC2969096 | biostudies-literature

1,2-Diiodo-4,5-dimethyl-benzene.

Project description:The structure of the title compound, C(8)H(8)I(2), conforms closely to the mm2 symmetry expected for the free mol-ecule and is the first reported structure of a diiodo-dimethyl-benzene. Repulsion by neighboring I atoms and the neighboring methyl groups opposite to them results in a slight elongation of the mol-ecule along the approximate twofold rotation axis that bis-ects the ring between the two I atoms. In the extended structure, the mol-ecules form inversion-related pairs which are organized in approximately hexa-gonal close-packed layers and the layers then stacked so that mol-ecules in neighboring layers abut head-to-tail in a manner that optimizes dipole-dipole inter-actions.

| S-EPMC2969782 | biostudies-literature

3-(4-Methoxy-phen-yl)-6-(phenyl-sulfon-yl)perhydro-1,3-thiazolo[3',4':1,2]pyrrolo[4,5-c]pyrrole.

Project description:In the title compound, C(21)H(24)N(2)O(3)S(2), the three five-membered rings adopt envelope conformations. The dihedral angle between the two aromatic rings is 68.4 (1)°. C-H⋯O inter-actions link the mol-ecules into a chain and the chains are cross-linked via C-H⋯π inter-actions involving the meth-oxy-phenyl ring.

| S-EPMC2960171 | biostudies-literature

8-Chloro-methyl-5-(2,5-dioxooxolan-3-yl)-3,3a,4,5-tetra-hydro-1H-naphtho-[1,2-c]furan-1,3-dione.

Project description:The title compound, C17H13ClO6, is an asymmetric alicyclic dianhydride containing a chloro-methyl-substituted tetra-hydro-naphthalene moiety. The cyclo-hexene ring in the tetra-hydro-naphthalene moiety exhibits an envelope conformation with the tertiary C atom as the flap The dihedral angle between the two anhydride rings is 79.96 (6)°, while those between the benzene ring and the non-fused and fused anhydride rings are 71.03 (5) and 42.57 (7)°, respectively. In the crystal, mol-ecules are connected by weak C-H⋯O inter-actions, forming a three-dimensional supramolecular structure.

| S-EPMC3772467 | biostudies-literature

Ethane-1,2-diaminium 4,5-dichloro-phthalate.

Project description:In the structure of the title compound, C(2)H(10)N(2) (2+)·C(8)H(2)Cl(2)O(4) (2-), the dications and dianions form hydrogen-bonded ribbon substructures which enclose conjoint cyclic R(2) (1)(7), R(1) (2)(7) and R(4) (2)(8) associations and extend down the c-axis direction. These ribbons inter-associate down b, giving a two-dimensional sheet structure. In the dianions, one of the carboxyl-ate groups is essentially coplanar with the benzene ring, while the other is normal to it [C-C-C-O torsion angles = 177.67?(12) and 81.94?(17)°, respectively].

| S-EPMC2980108 | biostudies-literature

4,5-Diferrocenyl-1,2-dithiole-3-thione

Project description:The structure of 4,5-diferrocenyl-1,2-dithiole-3-thione at 130 K has monoclinic (P21/c) symmetry. The compound has two ferrocenyl units attached to a 1,2-dithiole-3-thione moiety. In the crystal array, there are intermolecular contacts of the C—H⋯S and S—π(C–C) types. The structure of 4,5-diferrocenyl-1,2-dithiole-3-thione, [Fe2(C5H5)2(C13H8S3)] or C23H18Fe2S3, at 130 K has monoclinic (P21/c) symmetry. The molecule has two ferrocenyl units attached to a 1,2-dithiole-3-thione moiety. It is of interest with respect to the question if the introduction of ferrocenyl substituents into biologically active molecules offers the potential to obtain more efficacious therapeutic drugs. The crystal structure displays intermolecular contacts of the C—H⋯S and S—π(C—C) types.

| S-EPMC9638058 | biostudies-literature

4,5-Diphen-oxy-benzene-1,2-dicarbo-nitrile.

Project description:In the title compound, C(20)H(12)N(2)O(2), the phenyl and benzene rings are mutually perpendicular, with the dihedral angle between the phenyl rings being 87.92?(16)° and those formed between the phenyl rings and the benzene rings being 73.68?(15) and 84.65?(15)°. Helical supra-molecular chains along [010], mediated by C-H?N inter-actions, are found in the crystal structure.

| S-EPMC3297324 | biostudies-literature

4,5-Dimethyl-1,2-diphenyl-1H-imidazole monohydrate.

Project description:In the title compound, C(17)H(16)N(2)·H(2)O, the imidazole ring is essentially planar [maximum deviation = 0.0037 (7) Å]. The imidazole ring makes dihedral angles of 80.74 (7) and 41.62 (7)° with the phenyl rings attached to the N and C atoms, respectively. The dihedral angle between the two phenyl rings is 75.83 (8)°. Inter-molecular O-H⋯N and O-H⋯O hydrogen bonds are found in the crystal structure.

| S-EPMC3007850 | biostudies-literature

5-Isopropyl-idene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione.

Project description:The title compound, C(7)H(6)S(5), contains a 5-yl-idene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione framework, which is an important synthetic precursor of multi-dimensional organic superconductors and conductors. The mol-ecular framework is planar with an r.m.s. deviation of 0.012 Å for the non-H atoms. In the crystal structure, mol-ecules are linked by short inter-molecular S⋯S inter-actions [3.501 (5) and 3.581 (4) Å], constructing a zigzag mol-ecular tape network along the c axis.

| S-EPMC2977732 | 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