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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.

ABSTRACT: 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.

SUBMITTER: Kumar RS

PROVIDER: S-EPMC3009063 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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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.

Kumar Raju Suresh RS Osman Hasnah H Ali Mohamed Ashraf MA Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

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 ...[more]

PMID: 21589100

Similar Datasets

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

14-Hy-droxy-11-[(E)-4-meth-oxy-benzyl-idene]-8-(4-meth-oxy-phen-yl)-5-thia-3,13-diaza-hepta-cyclo-[13.7.1.1.0.0.0.0]tetra-cosa-1(22),15(23),16,18,20-pentaen-10-one.

Project description:In the title compound, C(36)H(32)N(2)O(4)S, the piperidine ring adopts a chair conformation, while the five-membered pyrrolidine (with a C atom as the flap atom) and thia-zolidine (with the S atom as the flap atom) rings adopt envelope conformations. The naphthalene ring system makes dihedral angles of 18.82 (5) and 40.92 (5)° with the two meth-oxy-substituted benzene rings. In the crystal, centrosymmetrically-related mol-ecules are linked into dimers via pairs of C-H⋯O and C-H⋯N hydrogen bonds. An intra-molecular O-H⋯N hydrogen bond is also observed. The crystal structure is further stabilized by C-H⋯π inter-actions.

| S-EPMC3247613 | 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

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

2-Hy-droxy-7-nitro-cyclo-hepta-2,4,6-trien-1-one.

Project description:The title compound, also known as 7-nitro-tropolone, C7H5NO4, exists in the crystalline state as the 2-hy-droxy-7-nitro-cyclo-hepta-2,4,6-trien-1-one tautomer and not as 2-hy-droxy-3-nitro-cyclo-hepta-2,4,6-trien-1-one. The dihedral angle between the ring and the nitro group is 70.3 (2)°. In the crystal, neighbouring mol-ecules are linked into dimers by a pair of O-H⋯O hydrogen bonds. In addition, the crystal is stabilized by O⋯π [3.4039 (14) Å] and O⋯O [3.073 (2) Å] inter-actions.

| S-EPMC3629590 | 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

catena-Poly[(μ(3)-2-hy-droxy-4-isopropyl-cyclo-hepta-2,4,6-trien-1-onato)(μ(2)-2-hy-droxy-4-isopropyl-cyclo-hepta-2,4,6-trien-1-onato)lead(II)].

Project description:In the title compound, [Pb(C(10)H(11)O(2))(2)](n) or [Pb(hino)(2)](n), the lead(II) ion is chelated by two hinokitiolate ligands in a distorted square-pyramidal configuration, with Pb-O bond lengths in the range 2.327 (6)-2.479 (9) Å. The 6s(2) lone electron pair of the lead(II) ion becomes stereochemically active and is directed towards the apex of this pyramid. The crystal structure of the title compound consists of chains formed by the bis-(hinokitiolato)lead(II) mol-ecules situated along the twofold screw axis. The coordination sphere around the lead(II) ion is completed by three additional O atoms, at 2.625 (7), 3.016 (8) and 3.064 (8) Å, from the two neighbouring Pb(hino)(2) units. Both isopropyl groups are rotationally disordered.

| S-EPMC3008991 | biostudies-literature

Bis(diphenyl-p-tolyl-phosphane-κP)(2-hy-droxy-3,5,7-bromo-cyclo-hepta-2,4,6-trienonato-κ(2)O,O')copper(I).

Project description:The Cu(I) atom in the title compund, [Cu(C(7)H(2)Br(3)O(2))(C(19)H(17)P)(2)], is located on a twofold rotation axis; the 3,5,7-tribromo-tropolonate anion coordinates as a bidentate ligand with a bite angle of 76.42 (9)°. An intra-molecular C-H⋯O inter-action occurs. Within the crystal, extensive weak C-H⋯π inter-actions contribute to the herringbone pattern observed in the packing of the mol-ecules.

| S-EPMC3515112 | 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)-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⋯π inter-actions further consolidate the structure.

| S-EPMC3247612 | biostudies-literature

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