Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,8-Dimethyl-acenaphthyl-ene-1,2-dione.

ABSTRACT: In the title compound, C(14)H(10)O(2), the acenaphthene-quinone core is essentially planar, with an r.m.s. deviation of 0.0140?Å. In the crystal, mol-ecules are connected by ?-? stacking inter-actions [centroid-centroid distances = 3.766?(3), 3.839?(3) and 3.857?(3)?Å], forming columns parallel to the a axis.

SUBMITTER: He SH

PROVIDER: S-EPMC3213570 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,8-Dimethyl-acenaphthyl-ene-1,2-dione.

He Shu-Hua SH

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

In the title compound, C(14)H(10)O(2), the acenaphthene-quinone core is essentially planar, with an r.m.s. deviation of 0.0140 Å. In the crystal, mol-ecules are connected by π-π stacking inter-actions [centroid-centroid distances = 3.766 (3), 3.839 (3) and 3.857 (3) Å], forming columns parallel to the a axis. ...[more]

PMID: 22091147

Similar Datasets

3,8-Dimethyl-quinazoline-2,4(1H,3H)-dione.

Project description:In the title compound, C(10)H(10)N(2)O(2), all non-H atoms are approximately co-planar with an r.m.s. deviation of 0.016?Å. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H?O hydrogen bonds. Chains along [010] are buiilt up by ?-? inter-actions [centroid-centroid distance = 3.602?(1)?Å] between the benzene and piperazine rings of adjacent mol-ecules.

| S-EPMC3212315 | biostudies-literature

4'-(4-Bromo-phen-yl)-1'-methyl-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1H)-dione.

Project description:In the title compound, C(30)H(22)BrNO(2), the cyclo-pentane ring of the dihydro-acenaphthyl-ene group and the pyrrolidine ring are both in envelope conformations with the spiro C atom and N atom, respectively, as the flap atom. The cyclo-pentane ring of the indane group adopts a half-chair conformation. A weak intra-molecular C-H⋯O hydrogen bond forms an S(8) ring motif. The naphthalene ring system of the dihydro-acenaphthyl-ene group forms dihedral angles of 41.76 (6) and 42.17 (6)° with the benzene ring of the bromo-phenyl group and the benzene ring of the indane group, respectively. The dihedral angle between the two benzene rings is 83.92 (7)°. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯N hydrogen bonds into a two-dimensional network parallel to the ac plane. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3344476 | biostudies-literature

1'-Methyl-4'-[4-(trifluoro-meth-yl)phen-yl]dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1H)-dione.

Project description:In the title compound, C(31)H(22)F(3)NO(2), the pyrrolidine and cyclo-pentane rings within the dihydro-indene ring system are in envelope conformations, with the N atom and the spiro-C atom at the flap, respectively. An intra-molecular C-H?O hydrogen bond forms an S(8) ring motif. The mean plane through the pyrrolidine ring [r.m.s. deviation = 0.179?(2)?Å] makes dihedral angles of 86.30?(13), 88.99?(10) and 79.69?(11)° with the benzene ring, the dihydro-acenaphthyl-ene ring and the mean plane of the indane system, respectively. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds into a two-dimensional network parallel to the ac plane. C-H?? inter-actions further stabilize the crystal structure.

| S-EPMC3344443 | biostudies-literature

3,8-Dimethyl-4,7-diaza-deca-3,7-diene-2,9-dione dioxime.

Project description:The complete mol-ecule of the title compound, C(10)H(18)N(4)O(2), is generated by a crystallographic inversion centre at the mid-point of the central C-C bond. The two oxime groups have an E configuration. In the crystal, mol-ecules are linked through inter-molecular O-H?N hydrogen bonds.

| S-EPMC3050210 | biostudies-literature

N,N'-Bis(2,6-diethyl-phen-yl)acenaphthyl-ene-1,2-diimine.

Project description:The title compound, C(32)H(32)N(2), has crystallographic twofold rotation symmetry, with two C atoms lying on the rotation axis. The dihedral angle between the substituted benzene ring and the naphthalene ring system is 79.8?(1)°. The crystal structure is stabilized by C-H?N inter-actions, which form a chain motif along the b-axis direction.

| S-EPMC3254474 | biostudies-literature

5,6-Dimethyl-1,2,9,10-tetra-hydro-pyrano[3,2-f]chromene-3,8-dione.

Project description:The title mol-ecule, C(14)H(14)O(4), lies on a twofold rotation axis that bis-ects the central benzene ring, with only one half-mol-ecule in the asymmetric unit. The pyran-one systems adopt distorted twist- boat conformations, with the two methyl-ene C atoms displaced by 0.537 (1) and 0.163 (2) Å from the best-fit plane through the remaining five C and O atoms (r.m.s. deviation = 0.073 Å). In the crystal, bifurcated C-H⋯(O,O) hydrogen bonds link pairs of adjacent mol-ecules in an obverse fashion, stacking mol-ecules along c. These contacts are further stabilized by very weak π-π inter-actions between adjacent benzene rings with centroid-centroid distances of 4.1951 (4) Å. Additional C-H⋯O contacts link these stacks, giving a three-dimensional network.

| S-EPMC3394011 | biostudies-literature

rac-Methyl (1R,3'S)-1',1''-dimethyl-2,2''-dioxo-2H-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxyl-ate.

Project description:In the title compound, C(26)H(22)N(2)O(4), the pyrrolidine ring adopts a twisted conformation and the other five-membered rings adopt envelope conformations with the spiro C atoms as the flap atoms. The naphthalene ring system of the dihydro-acenaphthyl-ene group forms dihedral angles of 89.2 (9) and 75.5 (6)° with the pyrrolidine and indole rings, respectively. The pyrrolidine ring makes a dihedral angle of 80.1 (9)° with the indole ring. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming chains along the b-axis direction.

| S-EPMC3569768 | biostudies-literature

3''-(2-Fluoro-benzyl-idene)-4'-(2-fluoro-phen-yl)-1'-methyl-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',1''-cyclo-penta-ne]-2,2''-dione.

Project description:In the title compound, C(33)H(25)F(2)NO(2), the acenaphthene ring system forms dihedral angles of 50.93 (14) and 36.89 (14)° with the benzene rings. The pyrrolidine and cyclo-penta-none rings adopt envelope (with the N atom as the flap) and twisted conformations, respectively. In the crystal, C-H⋯O and C-H⋯F inter-actions link the mol-ecules.

| S-EPMC3569782 | biostudies-literature

(4S)-4-(3,4-Dichloro-phen-yl)-1'-methyl-4'-phenyl-3,4-dihydronaphthalene-2-spiro-3'-pyrrolidine-2'-spiro-1''-acenaphthyl-ene-1,2''(2H,1''H)-dione.

Project description:In the title compound, C(37)H(27)Cl(2)NO(2), the 3,4-dichloro-phenyl ring makes a dihedral angle of 46.66 (6)° with the phenyl ring. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions and the crystal structure is stabilized by weak inter-molecular C-H⋯O inter-actions. The C-C-C-C-C five-membered ring is planar, while the C-C-C-C-N five-membered ring adopts a half-chair conformation.

| S-EPMC2961525 | biostudies-literature

6-[(Dimethyl-amino)methyl-ene-amino]-1,3-dimethyl-pyrimidine-2,4(1H,3H)-dione dihydrate.

Project description:Uracil, the pyrimidine nucleobase, which combined with adenine forms one of the major motifs present in the biopolymer RNA, is also involved in the self-assembly of RNA. In the title compound, C(9)H(14)N(4)O(2)·2H(2)O, the asymmetric unit contains one dimethyl-amino-uracil group and two water mol-ecules. The plane of the N=C-NMe(2) side chain is inclined at 27.6?(5)° to the plane of the uracil ring. Both water mol-ecules form O-H?O hydrogen bonds with the carbonyl O atoms of the uracil group. Additional water-water hydrogen-bond inter-actions are also observed in the crystal structure. The O-H?O hydrogen bonds lead to the formation of a two-dimensional hydrogen-bonded network cage consisting of two dimethyl-amino-uracil groups and six water mol-ecules.

| S-EPMC2960636 | 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