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3,15-Dimeth-oxy-10-methyl-tricyclo-[9.4.0.0]penta-deca-1(11),2(7),3,5,9,12,14-heptaen-8-one.

ABSTRACT: The title mol-ecule, C(18)H(16)O(3), contains three fused rings, of which the seven-membered cyclo-hept-2-enone ring has a screw-boat conformation. The two meth-oxy-phenyl rings make a dihedral angle of 50.4 (2)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds, leading to a three-dimensional supra-molecular architecture.

SUBMITTER: Zhu Y

PROVIDER: S-EPMC3200918 | biostudies-literature |

REPOSITORIES: biostudies-literature

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16-Oxa-penta-cyclo-[6.6.5.0(1,18).0(2,7).0(9,14)]nona-deca-2,4,6,9,11,13,18-heptaen-15-one.

Project description:In the title compound, C18H12O2, the benzene rings are inclined to one another by 66.79 (7)°. The five-membered ring is almost planar with a maximum deviation of 0.014 (1) Å. In the crystal, the mol-ecules are linked by pairs of weak C-H⋯O interactions into centrosymmetric dimers. These dimers are linked by C-H⋯π interactions, forming a three-dimensional structure.

| S-EPMC3998282 | biostudies-literature

Poly[diaqua-(?(4)-carboxyl-atomethyl-phospho-nato)(?(4)-carb-oxy-methyl-phospho-nato)penta-deca-methyl-penta-tin(IV)].

Project description:The central Sn(IV) atom of the penta-nuclear title complex, {[Sn(CH(3))(3)](3)O(2)C(CH(2))PO(3)[Sn(CH(3))(3)(H(2)O)](2)HO(2)C(CH(2))PO(3)}, is located on a twofold rotation axis; due to symmetry, the H atom of the carboxyl group of the anion is disordered with a site occupancy of 0.5. The central Sn(IV) atom is bonded to three methyl groups (one of which is disordered about the twofold rotation axis) and is symmetrically trans coordinated by two phospho-nate groups with Sn-O = 2.2665?(12)?Å while the other SnMe(3) residues are asymmetrically trans coordinated with Sn-O = 2.1587?(12) and 2.3756?(13)?Å for one residue and Sn-O = 2.1522?(12) and 2.4335?(12)?Å for the other; the Sn-O distances involving two O atoms trans to carboxyl-ate are longer than those trans to phospho-nate groups. The Sn-C distances lie in a very narrow range [2.112?(2)-2.133?(3)?Å]. The oxyanion behaves as a tetra-coordinating ligand. The bridging mode of the latter leads to the formation of layers parallel to (001) that are inter-connected by O-H?O and C-H?O hydrogen bonds.

| S-EPMC3569204 | biostudies-literature

11-(4-Methyl-phen-yl)-8,9-dihydro-7H-benzo[f]cyclo-penta-[b]quinolin-10(11H)-one.

Project description:In the title compound, C(23)H(19)NO, the naphthalene ring system and the cyclo-pent-2-enone ring exhibit planar conformations with maximum deviations of 0.034 (1) and 0.02 (1) Å, respectively. The 1,4-dihydro-pyridine ring adopts an envelope conformation with the C atom bearing the p-tolyl ring as the flap atom. Inter-molecular N-H⋯O hydrogen bonds and C-H⋯π inter-actions stabilize the crystal packing.

| S-EPMC3435758 | biostudies-literature

Methyl 2,2-dimeth-oxy-8-oxo-1-oxaspiro-[4.5]deca-6,9-diene-3-carboxyl-ate.

Project description:In the title mol-ecule, C(13)H(16)O(6), the cyclo-hexa-1,4-diene ring adopts a flat boat conformation (r.m.s. deviation from planarity = 0.060 Å) and the five-membered tetra-hydro-furan ring adopts an envelope conformation with the carboxyl group-substituted C atom as the flap. The dihedral angle at the spiro junction is 89.1 (1)°. In the crystal, mol-ecules are linked through weak C-H⋯O and van der Waals inter-actions.

| S-EPMC3344095 | biostudies-literature

6-Benzyl-3,4-dimeth-oxy-10-methyl-pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5(6H)-one.

Project description:Pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5(6H)-ones such as the title compound, C(24)H(21)N(3)O(3), can be obtained in a few minutes in a microwave-assisted three-component reaction from 2-amino-pyridines, isocyanides and 2-carboxy-benz-aldehydes. In the title compound, the pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5(6H)-one ring system is almost planar (mean deviation 0.068?Å). The dihedral angle between the benzyl ring and the pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5(6H)-one ring system is 78.2°. The crystal structure is stabilized by inter-molecular C-H?O and C-H?N hydrogen bonds.

| S-EPMC2970274 | biostudies-literature

3-(2,4-Dimeth-oxy-anilino)-8-meth-oxy-dibenz[b,e]oxepin-11(6H)-one.

Project description:In the title compound, C(23)H(21)NO(5), the two benzene rings of the tricyclic unit are oriented at a dihedral angle of 37.5 (8)°. The 2,4-dimeth-oxy-anilino residue is oriented at a dihedral angle of 60.2 (8)° towards the phen-oxy ring. In the crystal, the central carbonyl O atom accepts two hydrogen bonds from the N-H and C-H groups. A further inter-molecular C-H⋯O inter-action involving one of the meth-oxy O atoms is also observed.

| S-EPMC3051661 | biostudies-literature

8-Iodo-5,7-dimeth-oxy-4-methyl-2H-chromen-2-one.

Project description:In the title compound, C(12)H(11)IO(4), the C and O atoms of both meth-oxy groups lie very close to the mean plane of the six C atoms of the benzene ring. The O and C atoms of the group lying closest to the I atom are 0.012 (3) and 0.022 (4) Å, respectively, out of the mean plane. For the other meth-oxy group, the corresponding distances are 0.020 (3) and 0.078 (4) Å. In the crystal, there are only very weak inter-molecular C-H⋯O hydrogen bonds and O⋯I contacts [3.080 (2) Å]. The mol-ecules are approximately parallel to (100), forming a layered structure.

| S-EPMC3099918 | biostudies-literature

Crystal structure of methyl 6-meth-oxy-11-(4-meth-oxy-phen-yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di-aza-tetra-cyclo-[8.7.0.0(2,7).0(13,17)]hepta-deca-2(7),3,5,13(17),15-penta-ene-10-carboxyl-ate.

Project description:In the title compound, C30H28N2O6, the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxyl-ate group as the flap. The pyrazole ring [maximum deviation = 0.002?(2)?Å] forms a dihedral angle of 13.2?(1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4?(1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7?(1)°. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, C-H?O inter-actions generate supra-molecular chains propagating in [100] and these are connected into double layers that stack along the c-axis direction by weak ?-? inter-actions between pyrazole rings [centroid-centroid distance = 3.801?(1)?Å].

| S-EPMC4186142 | biostudies-literature

anti-Tricyclo-[4.2.1.1]deca-3,7-diene-9-endo,10-endo-diol.

Project description:The title compound, C(10)H(12)O(2), was synthesized as a candidate for further functionalization. The asymmetric unit comprises two independent mol-ecules, both of which are situated on a center of symmetry. Both mol-ecules are involved in a network of hydrogen bonding, with each alcohol group participating in one hydrogen bond as a donor and in a second hydrogen bond as an acceptor.

| S-EPMC2959889 | biostudies-literature

(+)-(1S,5R,10S)-11,11-Dimeth-yl-4-oxa-tricyclo-[8.4.0.0]tetra-deca-ne-3,12-dione.

Project description:The title compound, C(15)H(22)O(3), was prepared via amino-acid-promoted Robinson annulation followed by tandem Pd/C-mediated hydrogenation and oxidative cyclization. This product was instrumental in determining the feasibility of a stereocontrolled hydrogenation in which the directing hydroxyl group is adjacent to the 6-7-ring network and its olefinic component. The asymmetric unit consists of a single mol-ecule with normal geometric parameters. The absolute configuration was assigned based on the known enanti-omeric prescursor. Inter-molecular C-H?O inter-actions link each mol-ecule with four neighboring mol-ecules.

| S-EPMC2915339 | biostudies-literature

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