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Diethyl 1,8-diphenyl-11-oxatricyclo-[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxyl-ate.

ABSTRACT: The title compound, C28H26O5, is the Diels-Alder adduct from 1,3-diphenyl-benzo[c]furan and diethyl maleate. The mol-ecule comprises of a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between phenyl substituents in the 1,8-positions is 55.1?(1)°. The ethyl groups are disordered over two sets of sites, with occupancy ratios of 0.648?(9):0.352?(9) and 0.816?(1):0.184?(1). In the crystal, pairs of C-H?? inter-actions link the mol-ecules into inversion dimers.

SUBMITTER: Balakrishnan B

PROVIDER: S-EPMC3588525 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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Diethyl 1,8-bis-(4-methyl-phen-yl)-11-oxatricyclo-[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxyl-ate.

Project description:The title compound, C30H30O5, is the Diels-Alder adduct from 1,3-diphenyl-benzo[c]furan and diethyl maleate. The mol-ecule comprises a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between the 4-methyl-phenyl substituents in the 1- and 8-positions is 62.1 (1)°. The ethyl group of one ester group and the eth-oxy group of the other ester group are disordered over two sets of sites, with occupancy ratios of 0.43 (2):0.57 (2) and 0.804 (7):0.196 (7), respectively. In the crystal, inversion dimers are formed through pairs of C-H⋯O inter-actions.

| S-EPMC3629530 | biostudies-literature

Dimethyl 1-(4-methyl-phen-yl)-8-(thio-phen-2-yl)-11-oxatricyclo-[6.2.1.0(2,7)]undeca-2,4,6,9-tetra-ene-9,10-dicarboxy-late.

Project description:The title compound, C25H20O5S, is the product of a Diels-Alder reaction. The mol-ecule consists of a fused tricyclic system containing two five-membered rings and one six-membered ring. The five-membered rings both show an envelope conformation with the O atom at the flap, whereas the six-membered ring adopts a boat conformation. The thio-phene ring is disordered over two sets of sites with an occupancy ratio of 0.53 (1):0.47 (1). The dihedral angles between the 4-methyl-phenyl ring and the major and minor components of the thio-phene ring are 66.3 (1) and 67.9 (1)°, respectively, while the dihedral angle between the disordered thio-phenyl components is 3.1 (1)°. The mean plane of the tricyclic ring system makes dihedral angles of 35.8 (1), 30.8 (1) and 32.8 (1)°, respectively, with the 4-methyl-phenyl ring and the major and minor components of the thio-phenyl ring. In the crystal, inversion dimers are formed through pairs of C-H⋯π inter-actions. In addition, C-H⋯O inter-actions are observed.

| S-EPMC3629529 | biostudies-literature

Dimethyl 1,8-bis-(4-methyl-phen-yl)-11-oxatri-cyclo-[6.2.1.0(2,7)]undeca-2,4,6,9-tetra-ene-9,10-di-carboxyl-ate.

Project description:The title compound, C28H24O5, consists of a fused tricyclic system containing two five-membered rings and one six-membered ring. The five-membered rings both exhibit an envelope conformation with the O atom at the flap, whereas the six-membered ring adopts a boat conformation. The dihedral angle between the 4-methyl-phenyl rings at the 1,8-positions is 76.4 (1)°. In the crystal, mol-ecules are stacked in columns along the a axis through C-H⋯O inter-actions.

| S-EPMC3685092 | biostudies-literature

Tricyclo-[6.2.1.0]undeca-4,9-diene-3,6-dione.

Project description:The title compound, C(11)H(10)O(2), crystallizes with two independent mol-ecules in the asymmetric unit. In one mol-ecule, the dihedral angle between the mean planes of the C-C=C-C group of the diene unit and essentially planar cyclo-hexene ring is 51.07?(9)°, while in the other mol-ecule it is 54.49?(12)°. In the crystal structure, weak inter-molecular C-H?O inter-actions link the mol-ecules into columns along the b axis.

| S-EPMC2959398 | biostudies-literature

4,4-Dichloro-tricyclo-[5.4.0.0]undeca-7,9,11-triene.

Project description:The title compound, C(11)H(10)Cl(2), is a useful inter-mediate for the synthesis of 1H-cyclo-propa[b]naphthalene. Strain in the mol-ecule is evidenced by the fact that the cyclo-hexane ring is essentially planar and nearly coplanar with the benzene ring [dihedral angle 1.87?(18)°], and the cyclo-propyl ring is almost perpendicular to the cyclo-hexane ring [dihedral angle 70.99?(12)°]. The mol-ecules are loosely connected into one-dimensional chains by inter-molecular Cl?Cl inter-actions with a distance of 3.571?(1)?Å. The centroid-to-centroid distance between stacked benzene rings is ca 5.89?Å, indicating that no ?-? stacking exists in the crystal structure.

| S-EPMC2961701 | biostudies-literature

2,7-Dimethyl-1,8-naphthyridine.

Project description:The asymmetric unit of the title compound, C(10)H(10)N(2), contains one half-mol-ecule with the two shared C atoms lying on a twofold rotation axis. The 1,8-naphthyridine is almost planar with a dihedral angle of 0.42?(3)° between the fused pyridine rings. In the crystal, mol-ecules are linked into infinite chains along the c axis by inter-molecular C-H?N hydrogen bonds, generating R(2) (2)(8) ring motifs. In addition, the crystal structure is further stabilized by C-H?? inter-actions.

| S-EPMC2977386 | biostudies-literature

1,8-Dibenzoyl-2,7-dimethoxy-naphthalene.

Project description:The mol-ecule of the title compound, C(26)H(20)O(4), is located on a twofold rotation axis. The two benzoyl groups are situated in an anti orientation. The dihedral angle between the mean planes of the phenyl ring and the naphthalene ring system is 80.25 (6)°. The phenyl and carbonyl groups in each benzoyl group are almost coplanar. The mol-ecular packing is stabilized by weak C-H⋯O hydrogen bonds and a π-π stacking inter-action between the phenyl rings [centroid-centroid and inter-planar distances of 3.6383 (10) and 3.294 Å, respectively].

| S-EPMC2961268 | biostudies-literature

N,N'-Diphenyl-9,10-dioxo-9,10-di-hydro-anthracene-2,7-disulfonamide.

Project description:The title mol-ecule, C26H18N2O6S2, has an overall Z-shaped conformation, in which the benzene rings are inclined to the anthra-quinone mean plane by 60.60 (9) and 50.66 (13)°. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

| S-EPMC3770431 | biostudies-literature

1,8-Bis(tos-yloxy)-9,10-anthraquinone.

Project description:In the crystal structure of the title compound, C(28)H(20)O(8)S(2), adjacent anthracene skeletons are parallel or inclined at an angle of 20.6?(1)°. In the mol-ecular structure, the mean plane of the anthracene skeleton makes dihedral angles of 49.6?(1) and 76.8?(1)° with the tosyl rings, and the two terminal benzene rings are oriented at an angle of 74.5?(1)° with respect to each other. The crystal structure is stabilized by inter-molecular C-H?O and C-O?? inter-actions.

| S-EPMC2980119 | biostudies-literature

5-Methyl-2,4-bis-(methyl-sulfan-yl)tricyclo-[6.2.1.0]undeca-4,9-diene-3,6-dione.

Project description:The structure analysis of the title compound, C(14)H(16)O(2)S(2), shows the SMe and H atoms of the bond linking the six-membered rings to be syn and also to be syn to the bridgehead -CH(2)- group. Each of the five-membered rings adopts an envelope conformation at the bridgehead -CH(2)- group. The dione-substituted ring adopts a folded conformation about the 1,4-C?C vector, with the ketone groups lying to one side. The cyclo-hexene ring adopts a boat conformation.

| S-EPMC2979396 | biostudies-literature

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