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2-Hy-droxy-5-[(E)-2-methyl-benzyl-idene]-8-(2-methyl-phen-yl)-9-phenyl-3,10-diaza-hexa-cyclo-[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(20),12,14,16,18-pentaen-6-one.

ABSTRACT: In the title compound, C40H34N2O2, the central piperidine ring adopts a half-chair conformation and the fused pyrrolidine rings adopt twisted envelope (with the C atom bearing the methylphenyl ring as the flap atom) and envelope (with the C atom bound to the N atom, common to the pyridinone and pyrrolidine rings being the flap atom) conformations. The mol-ecular structure features weak intra-molecular N-H⋯O and C-H⋯O inter-actions. In the crystal, O-H⋯O hydrogen bonds generate a C(7) chain along the b-axis direction. C-H⋯O inter-actions also occur.

SUBMITTER: Almansour AI

PROVIDER: S-EPMC3588971 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Similar Datasets

5-[(E)-4-Fluoro-benzyl-idene]-8-(4-fluoro-phen-yl)-2-hy-droxy-9-phenyl-3,10-diaza-hexa-cyclo-[10.7.1.1.0.0.0]henicosa-1(20),12,14,16,18-pentaen-6-one.

Project description:In the title compound, C(38)H(28)F(2)N(2)O(2), the piperidine ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation with the spiro C atom as the flap atom. The naphthalene ring system makes dihedral angles of 39.89?(8), 35.33?(8) and 46.45?(8)° with the two fluoro-substituted benzene rings and the phenyl ring, respectively, while the dihedral angle between the two fluoro-substituted benzene rings is 75.21?(10)°. An intra-molecular O-H?N hydrogen bond generates an S(5) ring. In the crystal, mol-ecules are connected by C-H?O hydrogen bonds, forming supra-molecular chains propagating along the c-axis direction. Weak C-H?? inter-actions further consolidate the structure.

| S-EPMC3247612 | biostudies-literature

5-[(E)-2-Fluoro-benzyl-idene]-8-(2-fluoro-phen-yl)-2-hy-droxy-10-methyl-3,10-di-aza-hexa-cyclo-[10.7.1.1.0.0.0]henicosa-1(20),12,14,16,18-pentaen-6-one.

Project description:In the title compound, C(33)H(26)F(2)N(2)O(2), the piperidone ring adopts a half-chair conformation and the pyrrolidine rings adopt half-chair and envelope conformations. The two benzene rings make dihedral angles of 29.58?(5) and 76.33?(5)° with the mean plane of the 1,2-dihydro-acenaphthyl-ene unit. An intra-molecular O-H?N hydrogen bond helps to stabilize the mol-ecular structure. In the crystal, inter-molecular C-H?F hydrogen bonds link the mol-ecules into [010] chains. Weak C-H?? inter-actions are also observed.

| S-EPMC3050149 | biostudies-literature

5-[(E)-2-Bromo-benzyl-idene]-8-(2-bromo-phen-yl)-2-hy-droxy-10-methyl-3,10-di-aza-hexa-cyclo-[10.7.1.1.0.0.0]henicosa-1(20),12,14,16,18-pentaen-6-one.

Project description:In the title compound, C(33)H(26)Br(2)N(2)O(2), the piperidine group adopts an envelope conformation while the two pyrrolidine groups adopt half-chair and envelope conformations. The dihydro-acenaphthyl-ene group is almost planar, with a maximum deviation of 0.105 (1) Å. The dihedral angle between the two bromo-phenyl rings is 60.19 (8)°. An intra-molecular O-H⋯N inter-action is observed, generating an S(5) ring motif. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions. Short Br⋯Br [3.461 (1) Å] and Br⋯C [3.322 (2) Å] inter-molecular contacts are observed, as well as π-π inter-actions [centroid-centroid distance = 3.793 (1) Å].

| S-EPMC3007989 | biostudies-literature

5-[(E)-Benzyl-idene]-2-hy-droxy-8,9-di-phenyl-3,10-diaza-hexa-cyclo-[10.7.1.1.0.0.0]henicosa-1(19),12(20),13,15,17-pentaen-6-one.

Project description:In the title compound, C(38)H(30)N(2)O(2), the acenaphthyl-ene ring is close to being planar [maximum deviation = 0.1047?(11)?Å]. The dihedral angles between the three benzene rings and the acenaphthyl-ene system are 39.47?(3), 37.65?(3) and 44.47?(3)°. An intra-molecular O-H?N inter-action forms an S(5) hydrogen-bond ring motif. In the crystal, mol-ecules are linked into [101] chains by a set of C-H?O inter-actions.

| S-EPMC3247611 | biostudies-literature

11-[(E)-Benzyl-idene]-14-hy-droxy-8-phenyl-6-thia-3,13-diaza-hepta-cyclo-[13.7.1.1(9,13).0(2,9).0(2,14).0(3,7).0(19,23)]tetra-cosa-1(22),15(23),16,18,20-pentaen-10-one.

Project description:In the title compound, C(34)H(28)N(2)O(2)S, the piperidine ring adopts a chair conformation. One of the pyrrolidine rings adopts an envelope conformation with the methyl-ene C atom at the flap whereas the other pyrrolidine ring and the thia-zolidine ring adopt half-chair conformations. The mean plane of the dihydro-acenaphthyl-ene ring system [maximum deviation = 0.067?(1)?Å] makes dihedral angles of 28.31?(5) and 31.32?(6)° with the two terminal benzene rings. An intra-molecular O-H?N hydrogen bond forms an S(5) ring motif. In the crystal, mol-ecules are linked by C-H?O and C-H?S hydrogen bonds into layers lying parallel to the ac plane.

| S-EPMC3393284 | biostudies-literature

5-[(E)-Benzyl-idene]-2-hy-droxy-10-methyl-8-phenyl-3,10-diazahexa-cyclo-[10.7.1.1.0.0.0]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate.

Project description:In the title compound, C(33)H(28)N(2)O(2)·0.25C(2)H(6)O·0.6H(2)O, the piperidone ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the two phenyl rings is 70.83?(16)°. One of the N atoms of the organic mol-ecule is disordered over two positions in a 0.52?(4):0.48?(4) ratio and the two solvent mol-ecules are partially occupied and show high displacement parameters. In the crystal, mol-ecules are connected by inter-molecular O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3009066 | biostudies-literature

11-[(E)-2-Fluoro-benzyl-idene]-8-(2-fluoro-phen-yl)-14-hy-droxy-6-thia-3,13-diaza-hepta-cyclo-[13.7.1.1(9,13).0(2,9).0(2,14).0(3,7).0(19,23)]tetra-cosa-1(22),15(23),16,18,20-pentaen-10-one.

Project description:In the title compound, C(34)H(26)F(2)N(2)O(2)S, an intra-molecular O-H⋯N hydrogen bond forms an S(5) ring motif. The piperidine ring adopts a chair conformation. The thia-zolidine ring and one of the pyrrolidine rings adopt envolope conformations with methyl-ene C atoms at the flap, whereas the other pyrrolidine ring adopts a half-chair conformation. The fluoro-substituted benzene rings form dihedral angles of 32.25 (10) and 38.27 (10)°, respectively, with the mean plane of the dihydro-acenaphthyl-ene ring system [maximum deviation = 0.043 (2) Å]. The dihedral angle between the fluoro-substituted benzene rings is 64.13 (14)°. In the crystal, mol-ecules are linked by weak C-H⋯O, C-H⋯F and C-H⋯S hydrogen bonds into a three-dimensional network.

| S-EPMC3393908 | biostudies-literature

3,10-C-meso-3,5,7,7,10,12,14,14-Octa-methyl-4,11-diaza-1,8-diazo-niacyclo-tetra-decane bis-(perchlorate).

Project description:The structure determination of the title salt, C(18)H(42)N(4) (2+)·2ClO(4) (-), reveals that protonation has occurred at diagonally opposite amine N atoms. Intra-molecular N-H?N hydrogen bonds stabilize the conformation of the dication. In the crystal, the dications are bridged by perchlorate ions via N-H?O hydrogen bonds into supra-molecular chains propagating along the c axis and weak C-H?O inter-actions cross-link the chains.

| S-EPMC3007925 | biostudies-literature

1,12-Bis(2-carboxy-phen-yl)-5,8-dioxa-2,11-diaza-dodecane-2,11-diium dichloride methanol solvate.

Project description:In the title salt hydrate, C(22)H(30)N(2)O(6) (2+)·2Cl(-)·CH(4)O, the dication adopts a U-shaped conformation whereby the benzene rings are splayed out from the chain linking them. All components of the asymmetric unit are linked into a cohesive entity by a combination of O-H?Cl(-), N(+)-H?Cl(-) and N(+)-H?O charge-assisted hydrogen-bonding inter-actions. The assemblies thus formed are linked into supra-molecular helical chains along [010] via C-H?O contacts. The resulting chains are, in turn, consolidated into the three-dimensional crystal structure by C-H?? contacts.

| S-EPMC2980219 | biostudies-literature

3,10,14,21-Tetra-kis(4-meth-oxy-phen-yl)penta-cyclo-[11.8.0.0(2,11).0(4,9).0(15,20)]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaen-12-one chloro-form monosolvate.

Project description:The asymmetric unit of the title compound, C49H36O6·CHCl3, contains half an organic mol-ecule, the complete mol-ecule being generated by the operation of a crystallographic twofold rotation axis, and half a highly disordered chloro-form mol-ecule. The contribution to the diffraction pattern of the latter was removed using the program SQUEEZE in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]; the unit-cell characteristics take into account the presence of CHCl3. The dihedral angles between the planes of the naphthalene ring system and the meth-oxy-benzene rings are 71.05?(7) (syn to the central C=O group) and 57.27?(6)° (anti to the central C=O group). In the crystal, mol-ecules are linked by C-H?O inter-actions, generating C(12) chains running parallel to the b axis.

| S-EPMC4158498 | biostudies-literature

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