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(E)-3-Hydr-oxy-13-methyl-16-[4-(methyl-sulfan-yl)benzyl-idene]-7,8,9,11,12,13,15,16-octa-hydro-6H-cyclo-penta-[a]phen-an----thren-17(14H)-one.

ABSTRACT: In the title compound, C(26)H(28)O(2)S, the dihedral angles between the mean plane of the five membered ring and the 4-(methyl-sulfan-yl)benzyl-idine ring in the two crystallographically independent mol-ecules are 34.05 (10) and 40.53 (15)°. The packing is stabilized by inter-molecular O-H⋯O and C-H⋯O inter-actions.

SUBMITTER: Gunasekaran B

PROVIDER: S-EPMC2967983 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Hy-droxy-16-[(E)-4-methyl-benzyl-idene]-13-(4-methyl-phen-yl)-12-phenyl-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(37)H(32)N(2)O(3), an intra-molecular O-H?N hydrogen bond generates a five-membered ring, producing an S(5) motif. The piperidone ring adopts a half-chair conformation. The two fused pyrrolidine rings have similar envelope conformations. The interplanar angles between the benzene rings A/B and C/D are 75.68?(7) and 30.22?(6)°, respectively. In the crystal structure, adjacent mol-ecules are inter-connected into chains propagating along the [010] direction via inter-molecular C-H?O hydrogen bonds. Further stabilization is provided by weak C-H?? inter-actions.

| S-EPMC3007522 | biostudies-literature

2-Hydr-oxy-16-[(E)-4-hydr-oxy-3-methoxy-benzyl-idene]-13-(4-hydr-oxy-3-methoxy-phen-yl)-11-methyl-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(32)H(30)N(2)O(7), the piperidone ring adopts a chair conformation and the five-membered ring of the dihydro-indenone ring system adopts an envelope conformation. Intra-molecular O-H?N and C-H?O hydrogen bonds occur. The dihedral angle between the two hydr-oxy-subsituted methoxy-phenyl rings is 71.12?(5)°. In the crystal structure, mol-ecules are connected by inter-molecular O-H?O hydrogen bonds, forming layers parallel to (001). These layers are further connected by C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2979481 | biostudies-other

16-[(E)-4-Bromo-benzyl-idene]-13-(4-bromo-phen-yl)-2-hy-droxy-11-methyl-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title pyrrolidine compound, C(30)H(24)Br(2)N(2)O(3), the two fused pyrrolidine rings adopt envelope and twisted conformations, whereas the piperidine ring adopts an envelope conformation. The essentially planar 2,3-dihydro-indanone unit [maximum deviation = -0.0163?(19)?Å] is inclined at inter-planar angles of 14.29?(9) and 61.07?(9)° to the two benzene rings. In the crystal, adjacent mol-ecules are linked into dimers by inter-molecular O-H?N and C-H?O hydrogen bonds. Short inter-molecular Br?Br inter-actions [3.5140?(6)?Å] further inter-connect these dimers into double dimeric columns along the b axis.

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Crystal structure of 16-hy-droxy-4,4,10,13,14-penta-methyl-17-(6-methyl-hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca-hydro-1H-cyclo-penta-[a]phenanthren-3(2H)-one.

Project description:The title compound, C30H48O2, contains a fused four-ring triterpenoid system. In the mol-ecule, the two cyclo-hexane rings adopt a chair conformation and a twist boat conformation, respectively, the central cyclo-hexene ring adopts a half-chair conformation whereas the five membered ring adopts an envelope conformation. In the crystal, O-H⋯O hydrogen bonds between the hy-droxy and carbonyl groups of adjacent mol-ecules link the mol-ecules into supra-molecular chains propagating along the b-axis direction.

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2,17-Dichloro-8,9,10,11-tetra-hydro-19H-dibenzo[k,n][1,10,4,7]dioxadiaza-cyclo-penta-decine-7,12(6H,13H)-dione.

Project description:In the crystal structure of the title compound, C(19)H(18)Cl(2)N(2)O(4), N-H?O hydrogen bonds link the mol-ecules into infinite chains along the b axis. The structure also features weak C-H?O and C-H?Cl hydrogen bonds and C-H?? and (lone pair)?? inter-actions [Cl?centroid = 3.5871?(7)?Å]. An intra-molecular N-H?O bond occurs.

| S-EPMC3379293 | biostudies-literature

16-[(E)-Benzyl-idene]-13-hy-droxy-4-methyl-2-phenyl-4,14-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-7(12),8,10-triene-6,17-dione.

Project description:In the title compound, C(30)H(26)N(2)O(3), the two pyrrolidine rings adopt twisted and envelope conformations, whereas the cyclo-pentane ring adopts an envelope conformation. The least-squares planes through the pyrrolidine rings form a dihedral angle of 41.72?(10)°. The mol-ecular structure is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(5) ring motif. Centrosymmetrically related mol-ecules are linked via two pairs of inter-molecular C-H?O inter-actions, forming R(2) (2)(16) ring motifs. In the crystal packing, the mol-ecules are linked into two-dimensional networks parallel to the ab plane via C-H?O inter-actions.

| S-EPMC3006797 | biostudies-other

2-Hy-droxy-11-methyl-16-[(E)-4-methyl-benzyl-idene]-13-(4-methyl-phen-yl)-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(32)H(30)N(2)O(3), the piperidin-4-one and the two fused pyrrolidine rings adopt envelope conformations. The two methyl-phenyl rings are oriented at dihedral angle of 20.36?(7) and 56.24?(7)°, respectively, with respect to the indanone ring system. In the crystal structure, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules into chains propagating along [001]. Weak C-H?? inter-actions are also observed.

| S-EPMC3007847 | biostudies-other

10,13-Dimethyl-16-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetra-deca-hydro-1H-cyclo-penta-[a]phenanthren-17-yl acetate.

Project description:In the title compound, C(21)H(30)O(3), the five-membered ring adopts an envelope conformation, the cyclo-hexene ring displays a half-chair conformation and the two cyclo-hexane rings have normal chair conformations. In the crystal structure, weak inter-molecular C-H?O hydrogen bonding links the mol-ecules into supra-molecular chains running along [100].

| S-EPMC3007217 | biostudies-literature

Crystal structure of 1-benzyl-4-(4-chloro-phen-yl)-2-imino-1,2,5,6,7,8,9,10-octa-hydro-cyclo-octa-[b]pyridine-3-carbo-nitrile.

Project description:The title compound, C25H24ClN3, comprises a 2-imino-pyridine ring fused with a cyclo-octane ring, which adopts a twist boat-chair conformation. In the crystal, C-H?N inter-actions form R 2 (2)(14) ring motifs and mol-ecules are further connected by weak C-H?? inter-actions. The resulting supra-molecular structure is a two-dimensional framework parallel to the ab plane.

| S-EPMC4257162 | biostudies-literature

Ethyl 3-hydr-oxy-13-methyl-4'-phenyl-2'-(3,4,5-trimethoxy-phen-yl)-6,7,8,9,11,12,13,14,15,16-deca-hydro-spiro-[cyclo-penta-[a]phenanthrene-16,3'-pyrrolidine]-5'-carboxyl-ate.

Project description:In the title compound, C(39)H(45)NO(7),the pyrrolidine ring is connected to an estrone group, a trimeth-oxy benzene and a phenyl ring. The pyrrolidine ring exhibits a twist conformation and the other five-membered ring an envelope conformation. Mol-ecules are linked by N-H?O hydrogen bonds, C-H?? inter-actions and C-H?O hydrogen bonds.

| S-EPMC2959683 | biostudies-literature

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