Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Diallyl-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

ABSTRACT: In the title compound, C(21)H(16)N(2)O(3), the fused-ring system (r.m.s. deviation = 0.067?Å) is slightly buckled at the carbonyl C atom of the anthracenyl ring system [deviation = 0.177?(1)?Å] that is closer to an allyl substituent. The two allyl units lie on the same side of the fused-ring plane but are oriented in opposite directions, with N-C-C-C torsion angles of 126.9?(2) and 116.7?(2)°. In the crystal, the mol-ecules are linked into chains propagating along the b axis by C-H?O hydrogen bonds.

SUBMITTER: Afrakssou Z

PROVIDER: S-EPMC3007069 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,3-Diallyl-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Afrakssou Zahra Z Rodi Youssef Kandri YK Zouihri Hafid H Essassi El Mokhtar el M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

In the title compound, C(21)H(16)N(2)O(3), the fused-ring system (r.m.s. deviation = 0.067 Å) is slightly buckled at the carbonyl C atom of the anthracenyl ring system [deviation = 0.177 (1) Å] that is closer to an allyl substituent. The two allyl units lie on the same side of the fused-ring plane but are oriented in opposite directions, with N-C-C-C torsion angles of 126.9 (2) and 116.7 (2)°. In the crystal, the mol-ecules are linked into chains propagating along the b axis by C-H⋯O hydrogen bo ...[more]

PMID: 21588049

Similar Datasets

1,3-Dibenzyl-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Project description:The mol-ecule of the title compound, C(29)H(20)N(2)O(3), contains four fused rings, three are six-membered rings and one is the five-membered imidazole ring. The fused-ring system is linked to two benzyl groups. The four fused rings are folded around the O=C?C=O direction of the anthraquinone, with a dihedral angle of 16.36?(8)° between the two terminal rings (A and D). The imidazole ring (D) is almost perpendicular to the two benzyl groups (E and F) with dihedral angles of 86.69?(17) and 83.15?(13)°, respectively. In the crystal, adjacent mol-ecules are linked by inter-molecular C-H?O hydrogen bonding.

| S-EPMC3089129 | biostudies-literature

1,3-Bis(naphthalen-2-ylmeth-yl)-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Project description:The title compound, C(37)H(24)N(2)O(3), is a 1H-anthra[2,1-d]imidazole-2,6,11(3H)-trione derivative having naphthyl-methyl substitutents attached to the imidazole N atoms. The anthraquinone part of the mol-ecule is somewhat folded along the the line connecting the carbonyl bonds. The dihedral angle between the two benzene rings is 7.8?(1)°. The two naphthyl systems of the substituents of the imidazole ring are positioned on the same side of the five-membered ring; these are approximately coplanar, the dihedral angle between the napthyl systems being 4.3?(2)°.

| S-EPMC3213578 | biostudies-literature

1,3-Bis(prop-2-yn-1-yl)-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Project description:In the title compound, C21H12N2O3, the fused-ring system is roughly planar, the largest deviation from the mean plane being 0.084 (2) Å. The two prop-2-yn-1-yl groups are almost perpendicular to the fused ring plane, making C-C-N-C torsion angles of -103.4 (2) and -105.3 (2)°, and point in opposite directions with respect to the plane. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3685088 | biostudies-literature

1,3-Bis[3-(1,3-dioxoisoindolin-2-yl)prop-yl]-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Project description:The title compound, C(37)H(26)N(4)O(7), is a 1H-anthra[2,1-d]imidazole-2,6,11(3H)-trione derivative having isoindolindionylpropyl substitutents attached to the imidazole N atoms. The anthraquinone fragment is buckled, the dihedral angle between the two benzene rings being 1.6?(1)°. The two isoindoline rings of the substituents of the imidazole ring are positioned on opposite sides of the five-membered ring; these are nearly mutually perpendicular [dihedral angle between isoindoline rings = 88.3?(1)°].

| S-EPMC3213577 | biostudies-literature

3-Allyl-1-{[3-(4-nitro-phen-yl)-4,5-dihydro-1,3-oxazol-5-yl]meth-yl}-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Project description:The mol-ecular structure of the title compound, C(28)H(20)N(4)O(6), consists of three fused six-membered rings (A,B,C) and one five-membered ring (D). The latter is linked to an isoxazole ring (E) via a methyl-ene unit. A 4-nitro-phenyl substituent (F) is attached to the isoxazole. The fused five and six-membered rings (C,D) are almost coplanar with an r.m.s. deviation of 0.0345?Å and make a dihedral angle of 9.40?(8)° with ring A. The isoxazole and 4-nitro-phenyl rings (E,F) are also almost coplanar with the imidazole and the fused adjacent ring (C,D), forming a dihedral angle of 11.4?(6)°. The crystal packing displays inter-molecular C-H?O hydrogen bonding. An intra-molecular C-H?O inter-action also occurs.

| S-EPMC3120525 | biostudies-literature

Diethyl 2,6,11-trioxo-2,3-dihydro-1H-anthra[1,2-d]imidazole-1,3-diacetate.

Project description:The title compound, C(23)H(20)N(2)O(7), consists of three fused six-membered rings (A, B and C) and one five-membered ring (D), linked to two ethyl acetate groups. The four fused rings are slightly folded around the O=C?C=O direction of the anthraquinone system, with a dihedral angle of 3.07?(8)° between the fused five- and six-membered rings (C and D) and the terminal ring (A). The planes through the atoms forming each acetate group are nearly perpendicular to the mean plane of the anthra[1,2-d]imidazole system, as indicated by the dihedral angles between them of 79.94?(9) and 85.90?(9)°. The crystal packing displays non-classical C-H?O hydrogen bonds.

| S-EPMC3213523 | biostudies-literature

Di-tert-butyl 2,6,11-trioxo-2,3-dihydro-1H-anthra[1,2-d]imidazole-1,3-diacetate.

Project description:The fused-ring system of the title compound, C(27)H(28)N(2)O(7), which comprises one five- and three six-membered rings, is approximately planar (r.m.s. deviation = 0.133?Å), the system being buckled along the axis passing through the O atoms of the anthraquinone portion of the mol-ecule. Within the anthraquinone portion, the two benzene rings are aligned at 7.3?(2)°. In the crystal, one of the tert-butyl groups is disordered over two sets of sites in a 1:1 ratio. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3152101 | biostudies-literature

1-(Prop-2-en-1-yl)-3-{[3-(pyridin-4-yl)-4,5-di-hydro-isoxazol-5-yl]meth-yl}-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Project description:The fused five- and three six-membered rings of the anthra[1,2-d]imidazole-trione part of the title compound, C27H20N4O4, show two different substituents at the imidazole N atoms, viz. an allyl group and a [3-(pyridin-4-yl)-4,5-di-hydro-isoxazol-5-yl]methyl group. The fused-ring system is approximately planar [r.m.s. deviation = 0.232 (2) Å], but is slightly buckled along the common edge of the two pairs of adjacent rings, with a dihedral angle between them of 11.17 (6)°. The isoxazole ring makes dihedral angles of 27.2 (2) and 12.7 (2)° with the imidazole and pyridine rings, respectively. Weak C-H⋯O and C-H⋯N hydrogen bonds ensure the cohesion of the crystal structure, forming a three-dimensional network.

| S-EPMC3685089 | biostudies-literature

1,3-Diallyl-5-chloro-1H-benzimidazol-2(3H)-one.

Project description:The benzimidazolone part of the title mol-ecule, C(13)H(13)ClN(2)O, is almost planar (r.m.s. deviation = 0.006 Å) and its mean plane is aligned at dihedral angles of 62.5 (1) and 78.0 (1)° with respect to the mean planes of the allyl substituents.

| S-EPMC3051792 | biostudies-literature

1,3-Diallyl-6-bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:In the mol-ecule of the title compound, C(12)H(12)BrN(3)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.0148?(3)?Å. The two allyl groups are nearly perpendicular to the imidazo[4,5-b]pyridine plane [C-C-N-C torsion angles of 81.6?(4) and -77.2?(4)°] and point in the same direction. The planes through the atoms forming each allyl group are nearly perpendicular to the imidazo[4,5-b]pyridin-2-one system, as indicated by the dihedral angles between them of 80.8?(5) and 73.6?(5)°.

| S-EPMC3213442 | 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