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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.

ABSTRACT: 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.

SUBMITTER: Kumar RS

PROVIDER: S-EPMC3247612 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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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.

Kumar Raju Suresh RS Osman Hasnah H Rahim A S Abdul AS Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20111008 Pt 11

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 ...[more]

PMID: 22219917

Similar Datasets

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)-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

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

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.

Project description: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.

| S-EPMC3588971 | 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

(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

Crystal structure of [3,10-bis-(4-fluoro-pheneth-yl)-1,3,5,8,10,12-hexa-aza-cyclo-tetra-deca-ne]nickel(II) diperchlorate.

Project description:The square-planar nickel(II) title complex, [Ni(C24H36F2N6)](ClO4)2 or [NiL](ClO4)2 (L = 3,10-bis-(4-fluoro-pheneth-yl)-1,3,5,8,10,12-hexa-aza-cyclo-tetra-deca-ne) was synthesized by a one-pot reaction of template condensation and its X-ray crystal structure was determined. The nickel(II) ion lies close by a twofold axis and the complex displays whole-mol-ecule disorder. Ligand L, a hexa-aza-cyclo-tetra-decane ring having 4-fluoro-phenethyl side chains attached to uncoordinated nitro-gen atoms, adopts a trans III (R,R,S,S) configuration. The average Ni-N bond distance is 1.934 (9) Å, which is quite similar to those of other nickel(II) complexes with similar ligands. The nickel(II) ion is located 0.051 (7) Å above the least-squares plane through the four coordinated N atoms. The average C-N bond distance and C-N-C angle involving uncoordinated nitro-gen atoms are 1.425 (12) Å and 118.0 (9)°, respectively, indicating a significant contribution of sp 2 hybridization for these N atoms. The inter-molecular N-H⋯O, C-H⋯O/F hydrogen bonds of the complex form a network structure, which looks like a seamless floral lace pattern.

| S-EPMC7869553 | biostudies-literature

19-[(E)-4-Chloro-benzyl-idene]-16-(4-chloro-phen-yl)-2-hydr-oxy-1,11-diaza-hexa-cyclo-[15.3.1.0.0.0.0]henicosa-3(8),4,6-triene-9,18-dione.

Project description:In the title compound, C(32)H(26)Cl(2)N(2)O(3), the piperidone ring adopts a chair conformation and the proline and pyrrolidine rings adopt envelope conformations. The indane ring system is essentially planar with an r.m.s. deviation of 0.011?Å for the non-H atoms. The dihedral angle between the two chloro-substituted benzene rings is 63.69?(10)°. Intra-molecular C-H?O and N-H?O hydrogen bonds may influence the mol-ecular conformation. In the crystal structure, mol-ecules are connected into layers by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2979351 | biostudies-literature

11-[(E)-4-Bromo-benzyl-idene]-8-(4-bromo-phen-yl)-14-hy-droxy-3,13-diaza-hepta-cyclo-[13.7.1.1.0.0.0.0]tetra-cosa-1(22),15,17,19(23),20-pentaen-10-one.

Project description:In the title compound, C(35)H(28)Br(2)N(2)O(2), the piperidone ring adopts a chair conformation and the five-membered ring of the pyrrolidine ring adopts an envelope conformation. The naphthalene ring system makes dihedral angles of 37.12?(8) and 50.62?(9)° with the terminal bromo-substituted benzene rings. The dihedral angle between the two bromo-substituted benzene rings is 72.54?(10)°. In the crystal, adjacent mol-ecules are connected by a pair of inter-molecular C-H?O hydrogen bonds, forming an inversion dimer. An intra-molecular O-H?N hydrogen bond is also present.

| S-EPMC3009063 | biostudies-literature

11-[(E)-Benzyl-idene]-14-hy-droxy-8-phenyl-3,13-diaza-hepta-cyclo-[13.7.1.1.0.0.0.0]tetra-cosa-1(22),15,17,19(23),20-pentaen-10-one.

Project description:In the title compound, C(35)H(30)N(2)O(2), the piperidine ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation. The naphthalene ring makes dihedral angles of 24.56?(3) and 36.13?(4)° with the terminal phenyl rings. The dihedral angle between the two terminal phenyl rings is 55.27?(5)°. One of the C atoms in the pyrrolidine ring is disordered over two sites, with a refined occupany ratio of 0.670?(3):0.330?(3). An intra-molecular O-H?N hydrogen bond generates an S(6) ring. In the crystal structure, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(18) loops within sheets of mol-ecules lying parallel to the bc plane.

| S-EPMC3011470 | biostudies-other

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