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(±)-4,12,15,18,26-Penta-hydroxy-13,17-dioxahepta-cyclo-[14.10.0.0.0.0.0.0]hexa-cosa-1,3(14),6(11),7,9,15,19,21,23-nona-ene-5,25-dione monohydrate.

ABSTRACT: The title compound, C(24)H(14)O(9)·H(2)O, displays a cup-shaped form. The water mol-ecule is disordered over two set of sites with an occupancy ratio of 0.78:0.22. The mol-ecule of the compound has four stereocenters and corresponds to the SSRR/RRSS diastereoisomer. In the mol-ecule, the maximum dihedral angle between the planar benzene rings is 80.40 (4)°. The H atoms of the hy-droxy groups are engaged in hydrogen bonding, forming infinite chains parallel to the a axis. These chains are inter-linked through water mol-ecules, resulting in the formation of a two-dimensional network parallel to the (001) plane. Futhermore C-H⋯O, C-H⋯π and slipped π-π inter-actions result in the formation of a three-dimensional network.

SUBMITTER: Mahmood K

PROVIDER: S-EPMC3099947 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(±)-4,12,15,18,26-Penta-hydroxy-13,17-dioxahepta-cyclo-[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa-cosa-1,3(14),6(11),7,9,15,19,21,23-nona-ene-5,25-dione methanol disolvate.

Project description:The title compound, C24H14O9·2CH3OH, displays a chair-shaped form. The two di-hydro-indenone ring systems are located above and below the central fused-ring system, the dihedral angles between the mean planes of di-hydro-indenone ring systems and the mean plane of central fused-ring system are 67.91?(5) and 73.52?(4)°, respectively. In the crystal, extensive O-H?O hydrogen bonds, weak C-H?O hydrogen bonds and C-H?? inter-actions link the mol-ecules into a three-dimensional supra-molecular architecture.

| S-EPMC4011206 | biostudies-literature

(2RS,3SR,10SR,11RS)-3,10-Diphen-oxy-18,21-dioxa-5,8-diaza-penta-cyclo-[20.4.0.0.0.0]hexa-cosa-1(26),12,14,16,22,24-hexa-ene-4,9-dione ethyl acetate hemisolvate.

Project description:In the title compound, C(34)H(30)N(2)O(6)·0.5C(4)H(8)O(2), there are two mol-ecules in the asymmetric unit and the structure is stabilized by C-H?O inter-actions. The two nonsolvent mol-ecules of the asymmetric unit are linked together by a weak C-H?O hydrogen bond. The ethyl acetate mol-ecule is present as a space filler and does not participate in the hydrogen-bonding network.

| S-EPMC3213633 | biostudies-literature

8,13,26-Trioxa-23-thia-21-aza-penta-cyclo-[18.6.0.0(2,7).0(14,19).0(21,25)]hexa-cosa-2(7),3,5,14,16,18-hexa-ene.

Project description:In the title compound, C21H23NO3S, both the thia-zole and oxazolidine rings adopt twist conformations. The mean plane of the thia-zole ring makes a dihedral angle of 61.02?(7)° with the oxazolidine ring mean plane, and dihedral angles of 22.72?(6) and 75.07?(6)° with the benzene rings. The benzene rings are almost perpendicular to one another, making a dihedral angle of 89.14?(6)°. There are bifurcated intra-molecular C-H?O hydrogen bonds in the mol-ecular structure. In the crystal, mol-ecules are linked via C-H?? inter-actions, forming chains propagating along [100].

| S-EPMC3685049 | biostudies-literature

4,5,7,8,17-Penta-hydr-oxy-14,18-dimethyl-6-methyl-ene-3,10-dioxapenta-cyclo-[9.8.0.0.0.0]nona-dec-14-ene-9,16-dione methanol solvate dihydrate.

Project description:The title quassinoid compound, C(20)H(24)O(9)·CH(3)OH·2H(2)O, is a natural eurycomanone isolated from the roots of Eurycoma longifolia. The mol-ecules contain a fused five-ring system, with one tetra-hydro-furan ring adopting an envelope conformation, one tetra-hydro-pyran-2-one ring in a screw boat conformation, one cyclo-hexenone ring in a half-chair conformation and two cyclo-hexane rings in chair conformations. Intra-molecular C-H⋯O inter-actions generate S(5) ring motifs and an O-H⋯O inter-action generates an S(7) ring motif. In the crystal, mol-ecules are linked via inter-molecular O-H⋯O inter-actions along the b axis and further stacked along a axis. The absolute configuration of the title compound was inferred from previously solved structures of its analogues.

| S-EPMC2968991 | biostudies-literature

10,16-Dichloro-6,20-dioxa-3,23-diaza-tetra-cyclo-[23.3.1.0.0]nona-cosa-1(29),7,9,11,14(19),15,17,25,27-nona-ene-4,22-dione methanol monosolvate.

Project description:In the title compound, C(25)H(22)Cl(2)N(2)O(4)·CH(3)OH, the macrocyclic mol-ecule adopts a slightly distorted C(2)-symmetric conformation. The macrocyclic mol-ecules are linked via N-H?O hydrogen bonds between the amide groups into chains extending along the [010] direction. The methanol mol-ecules bridge these chains via N-H?O and O-H?O hydrogen bonds with the formation of a two-dimensional polymeric structure parallel to (001). The methanol mol-ecule is disordered over two positions with the occupancy ratio of 9:1. The disorder of the solvent molecule is caused by weak intermolecular C-H?Cl hydrogen bonding.

| S-EPMC3297870 | biostudies-other

8,11,24-Trioxa-21-thia-19-aza-penta-cyclo-[16.6.0.0(2,7).0(12,17).0(19,23)]tetra-cosa-2(7),3,5,12,14,16-hexa-ene.

Project description:In the title compound, C19H19NO3S, the thia-zole and oxazolidine rings each adopt an envelope conformation, with the S and O atoms as the respective flap atoms. The thia-zole and oxazolidine rings (all atoms) make a dihedral angle of 66.39?(11)° while the phenyl rings subtend a dihedral angle of 22.71?(10)°.

| S-EPMC3685055 | biostudies-literature

15-Hydroxy-ethyl-19-isopropyl-5,9-dimethyl-14,16-dioxo-15-aza-penta-cyclo-[10.5.2.0.0.0]nona-dec-18-ene-5-carboxylic acid.

Project description:The title compound, C(26)H(37)NO(5), which was synthesized from monoethano-lamine and maleopimaric acid, consists of two fused and unbridged cyclo-hexane rings. They form a trans ring junction with a chair conformation. The two methyl groups are in axial positions. In the crystal, inter-molecular O-H?O hydrogen bonds link adjacent mol-ecules into a layer structure. Two C-H?O interactions are also present.

| S-EPMC2970322 | biostudies-literature

Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triaza-penta-cyclo-[19.7.1.0(2,7).0(15,20).0(22,27)]nona-cosa-2,4,6,15(20),16,18,21,26-octa-ene-26-carboxyl-ate.

Project description:The title compound, C33H35N3O5, is the product of the multicomponent condensation of 1-benzyl-4-eth-oxy-carbonyl-piperidin-3-one with 1,5-bis-(2-formyl-phen-oxy)-3-oxapentane and ammonium acetate. The mol-ecule comprises a penta-cyclic system containing the aza-14-crown-4-ether macrocycle, tetra-hydro-pyrimidine, tetra-hydro-pyridine and two benzene rings. The aza-14-crown-4-ether ring adopts a bowl conformation with a dihedral angle of 62.37?(5)° between the benzene rings. The tetra-hydro-pyrimidine ring has an envelope conformation with the chiral C atom as the flap, whereas the tetra-hydro-pyridine ring adopts a distorted chair conformation. Two amino groups are involved in intra-molecular N-H?O hydrogen bonds. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

| S-EPMC3629615 | biostudies-literature

17-Hy-droxy-1,8-dimethyl-17-aza-penta-cyclo-[6.6.5.0(2,7).0(9,14).0(15,19)]nona-deca-2,4,6,9(14),10,12-hexa-ene-16,18-dione.

Project description:In the title compound, C20H17NO3 (alternative name: N-hy-droxy-9,10-dimethyl-9,10-ethano-anthracene-11,12-dicarboximide), the rigid ethano-anthracene-dicarboximide moiety has a roof-shaped geometry, the inter-planar angle between the two terminal phenyl rings being 124.9?(6)°. In the crystal, mol-ecules are linked via O-H?O hydrogen bonds, forming chains along [010]. C-H?O and C-H?? inter-actions link adjacent chains, leading to the formation of a three-dimensional structure.

| S-EPMC3588838 | biostudies-other

Diethyl 6,9,17,20-tetra-bromo-2,13-di-oxo-hexa-cyclo-[10.10.2.0.0.0.0]tetra-cosa-5,7,9,16,18,20-hexa-ene-23,24-dicarboxyl-ate.

Project description:In the title mol-ecule, C(26)H(22)Br(4)N(4)O(6), the dihedral angle between the aromatic rings is 30.0 (1)°. One ethyl fragment is disordered between two positions in a 1:1 ratio. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds and short Br⋯O contacts of 3.349 (6) Å.

| S-EPMC2968834 | biostudies-literature

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