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3,3,6,6-Tetra-methyl-9-(1-methyl-1H-indol-2-yl)-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.

ABSTRACT: In the acridine system of the title mol-ecule, C26H30N2O2, both cyclo-hex-2-enone rings adopt sofa conformations. The indole ring system is essentially planar, with a maximum deviation of 0.017 (2) Å for a bridgehead C atom. An intra-molecular C-H⋯O hydrogen bond occurs. The mol-ecules assemble into C(6) chains in the crystal by way of N-H⋯O hydrogen bonds.

SUBMITTER: Ozturk Yildirim S

PROVIDER: S-EPMC3588962 | biostudies-literature |

REPOSITORIES: biostudies-literature

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9-(3-Fluoro-phen-yl)-3,3,6,6-tetra-methyl-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.

Project description:In the title mol-ecule, C23H26FNO2, the central ring of the acridinedione system adopts a slight boat conformation and the four essentially planar atoms of this ring [maximum deviation = 0.019?(1)?Å] form a dihedral angle of 89.98?(6)° with the benzene ring. The two outer rings of the acridinedione system adopt sofa conformations. In the crystal, N-H?O hydrogen bonds link the mol-ecules, forming chains along [001].

| S-EPMC3588345 | biostudies-literature

9-(3,4-Dimeth-oxy-phen-yl)-3,3,6,6-tetra-methyl-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.

Project description:The asymmetric unit of the title compound, C(25)H(31)NO(4), contains two independent mol-ecules. In one mol-ecule, the benzene ring and an attached meth-oxy group were refined as disordered over two sets of sites in a 0.65 (4): 0.35 (4) ratio. In both mol-ecules, the central ring of the acridinedione system adopts a flattened boat conformation. The four essentially planar atoms of this ring [maximum deviations = 0.006 (5) Å in both mol-ecules] forms dihedral angles of 86.8 (2) and 87.6 (2)°, respectively, with the major and minor components in the disordered benzene ring and 87.3 (2)° with the benzene ring in the fully ordered mol-ecule. The two outer rings of the acridinedione system adopt sofa conformations in both mol-ecules. In the crystal, N-H⋯O hydrogen bonds form two independent chains along [100]. C-H⋯O hydrogen bonds link the chains, forming a three-dimensional network.

| S-EPMC3569818 | biostudies-literature

9-(4-Hy-droxy-3-meth-oxy-phen-yl)-3,3,6,6-tetra-methyl-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.

Project description:In the title mol-ecule, C24H29NO4, the central ring of the acridinedione system adopts a flat boat conformation and the four essentially planar atoms of this ring [maximum deviation = 0.001?(2)?Å] form a dihedral angle of 85.99?(12)° with the benzene ring. The two outer rings of the acridinedione system adopt sofa conformations. In the crystal, O-H?O and N-H?O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to (100).

| S-EPMC3588262 | biostudies-literature

10-(2-Hy-droxy-eth-yl)-9-(2-hy-droxy-phen-yl)-3,3,6,6-tetra-methyl-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.

Project description:The dihydro-pyridine ring in the title compound, C(25)H(31)NO(4), adopts an envelope conformation with the methine C atom representing the flap. The cyclo-hexenone rings also adopt envelope conformations with the C atoms bearing the methyl C atoms representing the flaps. The phenolic hy-droxy group forms an intra-molecular hydrogen bond to one of the two keto O atoms. The hy-droxy group of the N-bonded alkyl chain forms an inter-molecular hydrogen bond to the other keto O atom of an adjacent mol-ecule. The latter hydrogen bond leads to the formation of a helical chain running along the b axis.

| S-EPMC3051986 | biostudies-literature

9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione dimethyl sulfoxide monosolvate.

Project description:In the title compound, C21H19BrN2O2·C2H6OS, the indole ring system is essentially planar, with a maximum deviation of 0.050 (3) Å for the non-bridgehead C atom adjacent to the N atom. The two cyclo-hex-2-enone rings adopt half-chair conformations. An intra-molecular C-H⋯O hydrogen bond occurs. The solvent mol-ecule exhibits minor disorder of the S atom [site occupancies = 0.8153 (16) and 0.1847 (18)]. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming layers parallel to the bc plane.

| S-EPMC3588939 | biostudies-literature

9-(4-Fluoro-phen-yl)-3,3,6,6-tetra-methyl-10-p-tolyl-1,2,3,4,5,6,7,8,9,10-deca-hydroacridine-1,8-dione.

Project description:The title compound, C(30)H(32)FNO(2), was synthesized by the reaction of dimedone with 4-fluoro-benzaldehyde and p-toluidine in water. The dihydro-pyridine and both of the cyclo-hexenone rings are not planar and have flattened boat conformations. The dihedral angle between the planar aromatic rings is 15.33?(3)°. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2960545 | biostudies-literature

9-(5-Bromo-2-hy-droxy-phen-yl)-10-(2-hy-droxy-prop-yl)-3,3,6,6-tetra-methyl-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.

Project description:The dihydro-pyridine ring in the title compound, C(26)H(32)BrNO(4), adopts an envelope conformation with the methine C atom representing the flap. The cyclo-hexenone rings also adopt envelope conformations. The phenolic hy-droxy group forms an intra-molecular hydrogen bond to one of the two keto O atoms. Inter-molecular weak C-H?O hydrogen bonding is present in the crystal structure. The hy-droxy-propyl group is disordered over two sets of sites with an occupancy ratio of 0.636?(6):0.364?(6).

| S-EPMC3089333 | biostudies-other

10-Benzyl-9-(4-eth-oxy-phen-yl)-3,3,6,6-tetra-methyl-3,4,6,7,9,10-hexa-hydro-acridine-1,8(2H,5H)-dione.

Project description:In the title compound, C(32)H(37)NO(3), the central dihydro-pyridine ring adopts a nearly planar flattened-boat conformation, whereas both cyclo-hexenone rings adopt half-chair conformations. The mean and maximum deviations from the mean plane of the dihydro-pyridine ring are 0.1252 (9) and 0.188 (1) Å, respectively. The 4-eth-oxy-phenyl and phenyl rings form dihedral angles of 75.20 (4) and 82.14 (5)° with the dihydro-pyridine mean plane, respectively.

| S-EPMC3435766 | biostudies-literature

4a-Hy-droxy-3,3,6,6-tetra-methyl-9-[6-(3,3,6,6-tetra-methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa-hydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-deca-hydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate.

Project description:The pyridine ring in the title compound, C(39)H(47)NO(7)·0.5C(2)H(5)OH·0.5 H(2)O, is connected to one 3,3,6,6-tetra-methyl-1,8-dioxoxanthenyl and one 4a-hy-droxy-3,3,6,6-tetra-methyl-1,8-dioxodeca-hydroxanthenyl substituent in the 2- and 6-positions of the ring. In the former substituent, the six-membered xanthenyl ring adopts a flattened envelope conformation (with the methine C atom as the flap) while in the latter, the six-membered xanthenyl ring adopts a twisted envelope conformation (with the C atom bearing the hy-droxy group representing the flap). The hy-droxy H atom forms an intra-molecular hydrogen bond to the pyridyl N atom. An ethanol solvent mol-ecule is disordered with respect to a water mol-ecule in a 1:1 ratio. The water mol-ecule itself is disordered over two positions of equal occupancy.

| S-EPMC3099750 | biostudies-literature

3,3,6,6-Tetra-methyl-9-phenyl-3,4,5,6-tetra-hydro-9H-xanthene-1,8(2H,7H)-dione.

Project description:In the title compound, C(23)H(26)O(3), the three six-membered rings of the xanthene system are non-planar, having total puckering amplitudes, Q(T), of 0.443 (2), 0.202 (2) and 0.449 (2) Å. The central ring adopts a boat conformation and the outer rings adopt sofa conformations. The crystal structure is stabilized by van der Waals inter-actions.

| S-EPMC2969019 | biostudies-literature

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