(E)-16-(4-Chloro­benzyl­idene)estrone

In the title compound, C₂₅H₂₅ClO₂, the C ring adopts a chair conformation, while the B ring approximates a half-chair conformation. The five-membered ring D has a twist con­form­ation on the C—C bond fused with the C ring. Aromatic rings A and E are not coplanar, as evidenced by the dihedral angle of 7.51 (1)°. In the crystal, O—H...O hydrogen bonds form a double chain along the ab plane inter­connected by C—H...O inter­actions.

rac-5′′-(4-Fluoro­benzyl­idene)-1′-(4-fluoro­phen­yl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a′-octa­hydro­dispiro­[acenaphthyl­ene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione

In the title E isomer of the racemic compound, C₃₇H₃₂F₂N₂O₂, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by −0.355 (3) Å and with the methyl­ene C atom next to octa­hydro­indolizine moiety deviating by 0.415 (3) Å from the mean plane defined by other four atoms. In the octa­hydro­indolizine system, the pyrrolidine ring exhibits an envelope conformation with the fused methyne C atom deviating by 0.6496 (1) Å from the mean plane defined by four other atoms, and the piperidine ring exhibits a distorted chair conformation as evident from the puckering parameters Q = 0.568 (2) Å, θ = 1.0 (2) and Φ = 256 (11)°. In the crystal, C—H...O inter­actions connect the mol­ecules into chains along [101].

3-[2-Cyclo­propyl-1-(2-fluoro­phen­yl)-2-oxoeth­yl]-5-(4-methyl­sulfanyl­benzyl­idene)-1,3-thia­zolidine-2,4-dione

In the title compound, C₂₂H₁₈FNO₃S₂, the five-membered thia­zolidine ring is planar (r.m.s. deviation = 0.003 Å) and forms dihedral angles of 70.2 (3), 73.16 (17) and 10.32 (14)° with the cyclo­propane, fluoro­benzene and methyl­thio­benzene rings, respectively. The sum of the bond angles around the thia­zolidine ring N atom (359.6°) indicates sp² hybridization. The mol­ecular structure features intra­molecular C—H...S, C—H...F and C—H...O inter­actions. In the crystal, no significant inter­molecular contacts were apparent.

5′′-(4-Meth­oxy­benzyl­idene)-1′-(4-meth­oxy­phen­yl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a′-octa­hydro­dispiro­[acenaphthyl­ene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione

In the title compound, C₃₉H₃₈N₂O₄, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by 0.3304 (1) and with the methyl­ene C atom adjacent to the octa­hydro­indolizine unit deviating by 0.444 (3) Å from the mean plane defined by the other four atoms. In the octa­hydro­indolizine system, the pyrrolidine ring exhibits an envelope conformation, with the fused methyne C atom deviating by 0.6315 (1) Å from the mean plane defined by the other four atoms, and the piperidine ring exhibits a distorted chair conformation, as reflected in the puckering parameters Q = 0.568 (4) Å, θ = 1.5 (4) and φ = 161 (16)°. In the crystal pairs of weak C—H...O inter­actions form centrosymmetric dimers, which are further connected by C—H...π inter­actions. The crystal studied was a non-merohedral twin, with a domain ratio of 0.91:0.09.

4-(4-Meth­oxy­phen­yl)-6-methyl­amino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile

In the title compound, C₂₀H₁₇N₃O₄, the central pyran ring adopts a boat conformation with the O atom and diagonally opposite C atoms displaced by 0.1171 (1) and 0.1791 (1) Å, respectively, from the mean plane defined by the other four atoms. The coplanar atoms of the pyran ring and the meth­oxy­benzene ring are nearly perpendicular, as evidenced by the dihedral angle 87.01 (1)°. The amine H atom forms an intra­molecular N—H...O(nitro) hydrogen bond. In the crystal, mol­ecules are linked into dimeric aggregates by N—H...O(nitro) hydrogen bonds, generating an R₂²(12) graph-set motif.

9-(2-Chloro­benzyl­idene)anthracen-10(9H)-one

In the title compound, C₂₁H₁₃ClO, the central anthracene system is distorted towards a boat conformation and the outer rings are not coplanar with the central ring [dihedral angles = 7.79 (1) and 11.90 (1)°]. The crystal structure features inversion dimers with graph-set motif R₂²(18) formed by C—H...O inter­actions.

4-(4-Fluoro­phen­yl)-6-methyl­amino-5-nitro-2-phenyl-4H-pyran-3-carbo­nitrile

In the title compound, C₁₉H₁₄FN₃O₃, the central pyran ring adopts a boat conformation with the O atom and the quaternary C atom diagonally opposite displaced by 0.068 (1) and 0.075 (1) Å, respectively, above the mean plane defined by the other four ring atoms. The co-planar atoms of the pyran ring and the fluoro­phenyl ring are nearly perpendicular, as evidenced by the dihedral angle of 87.11 (1)°. The amine group forms an intra­molecular N—H...O(nitro) hydrogen bond. In the crystal, mol­ecules are linked into parallel chains along [100] by weak N—H...N and C—H...N(nitro) hydrogen bonds, generating C(8) and C(9) graph-set motifs, respectively.

(3E,5E)-1-Allyl-3,5-bis(4-meth­oxy­benzyl­idene)­piperidin-4-one

The piperidine ring in the title compound, C₂₄H₂₅NO₃, adopts an envelope conformation with the N atom being the flap atom, and each C=C double bond exhibits an E conformation. In the crystal, C—H...O hydrogen bonds link the mol­ecules, forming supramolecular layers that stack along the a axis.

5′′-(4-Nitro­benzyl­idene)-7′-(4-nitro­phen­yl)-1′′-methyl-1′,3′,5′,6′,7′,7a′-hexa­hydro­dispiro­[ace­naphthyl­ene-1,5′-pyrrolo­[1,2-c][1,3]thia­zole-6′,3′′-piperidine]-2,4′′(1H)-dione including an unknown solvate

The title compound, C₃₅H₂₈N₄O₆S, crystallizes with two mol­ecules in the asymmetric unit. In both mol­ecules, the piperidine ring adopts a shallow-chair conformation, the thia­zole ring adopts a twisted conformation about the C_m—N bond (m = methine) and the pyrrole ring adopts an envelope conformation with the C atom shared with the thia­zole ring as the flap. In the crystal, inversion dimers linked by pairs of C—H...O inter­actions generate R₂²(34) loops for one of the asymmetric mol­ecules. Further C—H...O links also involving the other mol­ecule lead to a three-dimesional network. The contribution of the highly disordered solvent to the scattering was removed with SQUEEZE option of PLATON [Spek (2009). Acta Cryst. D65, 148–155]. The solvent contribution is not included in the reported mol­ecular weight and density.

5′′-(2-Fluoro­benzyl­idene)-1′-(2-fluoro­phen­yl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a'-octa­hydro­dispiro­[ace­naphthyl­ene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione

In the title compound, C₃₇H₃₂F₂N₂O₂, the central six-membered piperidine ring adopts a twisted half-chair conformation, with the N and methyl­ene C atoms deviating by −0.2875 (16) and 0.4965 (15) Å, respectively, from the mean plane defined by the other four atoms. The piperidine connected to the octa­hydro­indolizine ring is in a half-chair conformation. The five-membered pyrrole ring adopts a slightly twisted envelope conformation with the piperidine C atom as the flap atom. The F and H atoms of both fluoro­benzene rings are disordered, with occupancy factors of 0.941 (3):0.059 (3) and 0.863 (3):0.137 (3). The mol­ecular structure features some intra­molecular C—H...O inter­actions. In the crystal, a supra­molecular zigzag chain sustained by C—H...F inter­actions parallel to the c axis is formed, generating a C(12) graph-set motif.

1′′-Allyl-5′′-(4-meth­oxy­benzyl­idene)-7′-(4-methoxy­phen­yl)-1′,3′,5′,6′,7′,7a′-hexa­hydro­dispiro­[ace­naphthyl­ene-1,5′-pyrrolo­[1,2-c][1,3]thia­zole-6′,3′′-piperidine]-2,4′′(1H)-dione

In the title compound, C₃₉H₃₆N₂O₄S, the piperidine ring adopts a twisted half-chair conformation. In the pyrrolo­thia­zole fused-ring system, the pyrrole ring adopts an envelope conformation (with the C atom bound to the thia­zole ring being the flap atom) and the thia­zole ring also exhibits an envelope conformation (with the N atom bound to the pyrrole ring as the flap). The mol­ecular structure features a weak intra­molecular C—H...O inter­action. In the crystal, a C—H...O inter­action forms a linear chain along the diagonal of the ac plane, generating a C(14) graph-set motif. A weak C—H...π inter­action also occurs.

1′,1′′-Dimethyl-4′-phenyl­dispiro­[11H-indeno­[1,2-b]quinoxaline-11,2′-pyrrolidine-3′,3′′-piperidin]-4′′-one

In the title compound, C₃₀H₂₈N₄O, the central pyrrolidine ring adopts an envelope conformation with the CH₂ C atom as the flap. The quinoxaline and indene ring systems are planar, with r.m.s. deviations of 0.0165 and 0.0181 Å, respectively. The pyrrolidine ring mean plane forms dihedral angles of 88.84 (1) and 86.14 (1)° with the quinoxaline and indene ring systems, respectively. A weak intra­molecular C—H...N inter­action is observed. In the crystal, C—H...O inter­actions lead to helical supra­molecular chains along the b axis having a C(9) motif.

1′,1′′-Dimethyl-4′-(4-methyl­phen­yl)di­spiro­[11H-indeno­[1,2-b]quinoxaline-11,2′-pyrrolidine-3′,3′′-piperidin]-4′′-one

In the title compound, C₃₁H₃₀N₄O, the central pyrrolidine ring adopts an envelope conformation with the methyl­ene C atom being the flap. The quinoxaline and indane rings are each planar, having r.m.s. deviations of 0.030 and 0.050 Å, respectively. The pyrrolidine ring mean plane forms dihedral angles of 88.25 (1) and 83.76 (1)° with the quinoxaline and indane rings, respectively. Intra­molecular C—H...O and C—H...N inter­actions are observed. In the crystal, C—H...π inter­actions lead to helical supra­molecular chains along the b-axis direction.

14a-Hy­droxy-12-methyl-10-(4-methyl­phen­yl)-8,9,9a,10,12,13,14,14a-octa­hydro-10a,14-methano-5H-indeno­[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione

In the title compound, C₂₇H₂₈N₂O₃, each of the pyrrolidine rings adopts a twisted conformation, as does the cyclo­pentane ring. The indane ring has an r.m.s deviation of 0.0693 Å. The dihedral angle between the mean plane of the pyrrolizine ring and indane system is 82.58 (1)°. The piperidine ring has the methyl substituent in an equatorial position and adopts a twisted chair conformation. The mol­ecular structure is stabilized by a weak intra­molecular O—H...N inter­action.

(3aR,8bR)-3a,8b-Dihy­droxy-2-methyl­sulfanyl-3-nitro-1-phenyl-1,8b-di­hydro­indeno[1,2-b]pyrrol-4(3aH)-one

In the title compound, C₁₈H₁₄N₂O₅, the pyrrolidine ring adopts a shallow envelope conformation, with the C atom bearing the OH group (and remote from the N atom) displaced by 0.257 (2) Å from the other atoms. The cyclo­pentane ring has a twisted conformation about the C—C bond bearing one =O and one —OH grouping. The dihedral angle between the five-membered rings (all atoms) is 65.54 (9)° and the OH groups lie to the same side of the ring-junction. The mol­ecular structure features a weak intra­molecular O—H...O bond and a possible C—H...π inter­action. In the crystal, the mol­ecules are linked into [010] chains by O—H...O hydrogen bonds. Weak C—H...O bonds connect the chains into (100) sheets.

(3aR,8bR)-3a,8b-Dihy­droxy-1-(4-meth­oxy­phen­yl)-2-methyl­sulfan­yl-3-nitro-1,8b-di­hydro­indeno­[1,2-b]pyrrol-4(3aH)-one

In the title compound, C₁₉H₁₆N₂O₆S, the pyrrolidine ring adopts a twisted conformation with puckering parameters q₂ = 0.088 (3) Å and Φ₂ = 61.5 (14)°. The cyclo­pentane ring adopts a twisted conformation with puckering parameters q₂ = 0.099 (2) Å and Φ₂ = 242.8 (14)°. A weak intra­molecular O—H...O inter­action occurs. In the crystal, pairs of C—H...O inter­actions generate dimers with graph-set motif R₂²(24) and they are interconnected by pairs of O—H...O hydrogen bonds, which link the mol­ecules into inversion dimers with graph-set motif R₂²(10).