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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.

ABSTRACT: 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.

SUBMITTER: Sughanya V

PROVIDER: S-EPMC3435766 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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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.

Sughanya V V Sureshbabu N N

Acta crystallographica. Section E, Structure reports online 20120823 Pt 9

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. ...[more]

PMID: 22969637

Similar Datasets

10-[2-(Dimethyl-amino)eth-yl]-9-(4-methoxy-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(28)H(38)N(2)O(3), the central ring of the acridinedione system adopts a boat conformation, while one of the outer rings adopts a half-chair conformation and the conformation of the other outer ring is between a sofa and a half-chair. The acridinedione system is buckled, with an angle of 22.01?(3)°. The crystal packing comprises layers of mol-ecules laid parallel to the ac plane, being reinforced by an intermolecular C-H?O interaction.

| S-EPMC2968240 | biostudies-literature

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

Project description:The title compound, C(29)H(29)ClFNO(2), was synthesized by the reaction of 4-fluoro-benzaldehyde, 5,5-dimethyl-cyclo-hexane-1,3-dione and 3-(4-chloro-phenyl-amino)-5,5-dimethyl-cyclo-hex-2-enone in an ionic liquid (1-butyl-3-methyl-imidazolium bromide). X-ray analysis reveals that the 1,4-dihydro-pyridine ring adopts a boat conformation, while each of the attached partially saturated six-membered rings adopts a half-chair conformation. The structure is stabilized by weak C-H?O and C-H?F hydrogen bonds. The mol-ecule has approximate mirror symmetry; the largest deviation from this symmetry concerns the fluoro- and chloro-phenyl rings.

| S-EPMC2960627 | biostudies-literature

Crystal structure of 10-benzyl-9-(3,4-di-meth-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 acridinedione moiety of the title compound, C32H37NO4, the central di-hydro-pyridine ring adopts a flattened-boat conformation, with the N atom and the methine C atom displaced from the mean plane of the other four atoms by 0.0513 (14) and 0.1828 (18) Å, respectively. The two cyclo-hexenone rings adopt envelope conformations, with the tetra-subsituted C atoms as the flap atoms. The 3,4-di-meth-oxy--benzene and benzyl rings are almost normal to the di-hydro-pyridine mean plane, with dihedral angles of 89.47 (9) and 82.90 (11)°, respectively. In the crystal, mol-ecules are linked via a pair of C-H⋯O hydrogen bonds, forming inversion dimers, which are, in turn, linked by C-H⋯O hydrogen bonds, forming slabs lying parallel to (001).

| S-EPMC4555413 | biostudies-literature

Crystal structure of 9-(3-bromo-5-chloro-2-hydroxy-phen-yl)-10-(2-hy-droxy-eth-yl)-3,3,6,6-tetra-methyl-3,4,6,7,9,10-hexa-hydro-acridine-1,8(2H,5H)-dione.

Project description:The title compound C25H29BrClNO4, comprises a 3,3,6,6-tetra-methyl-tetra-hydro-acridine-1,8-dione ring system that carries a hy-droxy-ethyl substituent on the acridine N atom and a 3-bromo-5-chloro-2-hy-droxy-phenyl ring on the central methine C atom of the di-hydro-pyridine ring. The benzene ring is inclined to the acridine ring system at an angle of 89.84?(6)° and this conformation is stabilized by an intra-molecular O-H?O hydrogen bond between the hy-droxy substituent on the benzene ring and one of the carbonyl groups of the acridinedione unit. In the crystal, O-H?O, C-H?O and C-H?Br hydrogen bonds combine to stack mol-ecules in inter-connected columns propagating along the a-axis direction.

| S-EPMC4158539 | biostudies-literature

Crystal structure, Hirshfeld surface and frontier mol-ecular orbital analysis of 10-benzyl-9-(3-eth-oxy-4-hy-droxy-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 fused ring system of the title compound, C32H37NO4, the central di-hydro-pyridine ring adopts a flattened boat conformation, the mean and maximum deviations of the di-hydro-pyridine ring being 0.1429?(2) and 0.2621?(2)?Å, respectively. The two cyclo-hexenone rings adopt envelope conformations with the tetra-substituted C atoms as flap atoms. The benzene and phenyl rings form dihedral angles of 85.81?(2) and 88.90?(2)°, respectively, with the mean plane of the di-hydro-pyridine ring. In the crystal, mol-ecules are linked via an O-H?O hydrogen bond, forming a helical chain along the b-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H?H (65.2%), O?H/H?O (18.8%) and C?H/H?C (13.9%) contacts. Quantum chemical calculations for the frontier mol-ecular orbitals were undertake to determine the chemical reactivity of the title compound.

| S-EPMC7133029 | biostudies-literature

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

Project description:In the title compound, C(23)H(25)NO(5), the pyran ring adopts a flattened boat conformation, while the two cyclo-hexenone rings are in envelope conformations. The 3-nitro-phenyl ring is almost perpendicular to the pyran ring, making a dihedral angle of 87.1?(3)°.

| S-EPMC3007304 | biostudies-literature

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

Project description:In the mol-ecule of the title compound, C(24)H(28)O(4), the three six-membered rings of the xanthene system are not planar, having envelope, boat and envelope conformations. In the crystal structure, C-H⋯O hydrogen bonds link the mol-ecules, generating centrosymmetric R(2) (2)(12), R(4) (4)(28) and R(2) (2)(16) ring motifs and forming a three-dimensional network.

| S-EPMC2960936 | biostudies-literature

(E)-9-(4-Fluoro-styr-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione.

Project description:In the title compound, C25H27FO3, each of the cyclo-hexenone rings adopts a half-chair conformation, whereas the six-membered pyran ring adopts a flattened boat conformation, with the O and methine C atoms deviating by 0.0769?(15) and 0.196?(2)?Å, respectively, from the plane of the other four atoms (r.m.s. deviation = 0.004?Å). The C=C double bond adopts an E conformation. The dihedral angle between the benzene and pyran (all atoms) rings is 89.94?(10)°. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into chains running parallel to the b axis.

| S-EPMC3685118 | biostudies-literature

(E)-3,3,6,6-Tetra-methyl-9-(2-nitro-styr-yl)-3,4,5,6,7,9-hexa-hydro-1H-xanthene-1,8(2H)-dione.

Project description:In the title compound, C(25)H(27)NO(5), each of the cyclo-hexenone rings adopts a half-chair conformation, whereas the six-membered pyran ring adopts a flattened boat conformation, with the O and methine C atoms deviating from the plane of the other four atoms. In the crystal, weak C-H?O hydrogen bonds link mol-ecules into chains parallel to the c axis.

| S-EPMC3379499 | biostudies-literature

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

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