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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?? 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-other

Ethyl 27-oxo-15-oxa-2,20-diaza-hexa-cyclo-[18.6.1.0(1,8).0(2,6).0(9,14).0(21,26)]hepta-cosa-9,11,13,21,23,25-hexa-ene-7-carboxyl-ate.

Project description:In the title compound, C27H30N2O4, the pyrrolidine ring adopts a twisted conformation. The indoline ring system is almost perpendicular to the mean plane of the pyrrolidine ring, making a dihedral angle of 81.7?(8)°. In the crystal, mol-ecules are linked into centrosymmetric dimers with graph-set motif R2(2)(16) via pairs of C-H?O hydrogen bonds. The terminal ethyl group of the ester group is disordered over two sets of sites, with a site-occupancy ratio of 0.587?(11):0.413?(11).

| S-EPMC3588369 | 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

Bis(diphenyl-p-tolyl-phosphane-?P)(2-hy-droxy-3,5,7-bromo-cyclo-hepta-2,4,6-trienonato-?(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?? inter-actions contribute to the herringbone pattern observed in the packing of the mol-ecules.

| S-EPMC3515112 | 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?? [3.4039?(14)?Å] and O?O [3.073?(2)?Å] inter-actions.

| S-EPMC3629590 | 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?? inter-actions further consolidate the structure.

| S-EPMC3247612 | biostudies-literature

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