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16-[(E)-4-Bromo-benzyl-idene]-13-(4-bromo-phen-yl)-2-hy-droxy-11-methyl-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

ABSTRACT: In the title pyrrolidine compound, C(30)H(24)Br(2)N(2)O(3), the two fused pyrrolidine rings adopt envelope and twisted conformations, whereas the piperidine ring adopts an envelope conformation. The essentially planar 2,3-dihydro-indanone unit [maximum deviation = -0.0163?(19)?Å] is inclined at inter-planar angles of 14.29?(9) and 61.07?(9)° to the two benzene rings. In the crystal, adjacent mol-ecules are linked into dimers by inter-molecular O-H?N and C-H?O hydrogen bonds. Short inter-molecular Br?Br inter-actions [3.5140?(6)?Å] further inter-connect these dimers into double dimeric columns along the b axis.

SUBMITTER: Kumar RS

PROVIDER: S-EPMC3050270 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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16-[(E)-4-Bromo-benzyl-idene]-13-(4-bromo-phen-yl)-2-hy-droxy-11-methyl-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

Kumar Raju Suresh RS Osman Hasnah H Perumal Subbu S Goh Jia Hao JH Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101215 Pt 1

In the title pyrrolidine compound, C(30)H(24)Br(2)N(2)O(3), the two fused pyrrolidine rings adopt envelope and twisted conformations, whereas the piperidine ring adopts an envelope conformation. The essentially planar 2,3-dihydro-indanone unit [maximum deviation = -0.0163 (19) Å] is inclined at inter-planar angles of 14.29 (9) and 61.07 (9)° to the two benzene rings. In the crystal, adjacent mol-ecules are linked into dimers by inter-molecular O-H⋯N and C-H⋯O hydrogen bonds. Short inter-molecula ...[more]

PMID: 21522647

Similar Datasets

16-[(E)-Benzyl-idene]-2-hy-droxy-12,13-diphenyl-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(35)H(28)N(2)O(3), an intra-molecular O-H?N hydrogen bonds generates a five-membered ring, producing an S(5) ring motif. The piperidone ring adopts a half-chair conformation and the two pyrrolidine rings adopt an envelope conformation. The dihedral angles formed between adjacent benzene rings are 74.39?(5) and 37.70?(6)°. In the crystal crystal, inter-molecular C-H?O hydrogen bonds link mol-ecules into dimers, which are further inter-connected into two-dimensional networks parallel to the ac plane by inter-molecular C-H?O hydrogen bonds. The crystal structure is consolidated by weak C-H?? inter-actions.

| S-EPMC3007256 | biostudies-other

2-Hy-droxy-16-[(E)-4-methyl-benzyl-idene]-13-(4-methyl-phen-yl)-12-phenyl-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(37)H(32)N(2)O(3), an intra-molecular O-H?N hydrogen bond generates a five-membered ring, producing an S(5) motif. The piperidone ring adopts a half-chair conformation. The two fused pyrrolidine rings have similar envelope conformations. The interplanar angles between the benzene rings A/B and C/D are 75.68?(7) and 30.22?(6)°, respectively. In the crystal structure, adjacent mol-ecules are inter-connected into chains propagating along the [010] direction via inter-molecular C-H?O hydrogen bonds. Further stabilization is provided by weak C-H?? inter-actions.

| S-EPMC3007522 | biostudies-literature

2-Hy-droxy-11-methyl-16-[(E)-4-methyl-benzyl-idene]-13-(4-methyl-phen-yl)-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(32)H(30)N(2)O(3), the piperidin-4-one and the two fused pyrrolidine rings adopt envelope conformations. The two methyl-phenyl rings are oriented at dihedral angle of 20.36 (7) and 56.24 (7)°, respectively, with respect to the indanone ring system. In the crystal structure, inter-molecular O-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules into chains propagating along [001]. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3007847 | biostudies-literature

13-Hydr-oxy-4,16-dimethyl-4,16-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-7(12),8,10-triene-6,18-dione.

Project description:In the title compound, C(18)H(20)N(2)O(3), the N-methyl-piperidone ring adopts a chair conformation. The pyrrolidine ring and the five-membered cyclo-pentane rings adopt envelope conformations. The five-membered ring of the ninhydrin system adopts an envelope conformation with the central C atom deviating by 0.217 (1)Å from the mean plane through the other atoms. The mol-ecular packing is characterized by inter-molecular C-H⋯O and intra-molecular C-H⋯O and O-H⋯N inter-actions.

| S-EPMC2977829 | biostudies-literature

19-Ferrocenyl-18-oxa-8,16-diaza-penta-cyclo-[8.6.3.0.0.0]nona-deca-2(7),3,5-triene-9,17-dione.

Project description:In the title compound, [Fe(C(5)H(5))(C(21)H(19)N(2)O(3))], both pyrrol-idine rings of the pyrrolizine substructure show an envelope conformation. In the ferrocenyl moiety, the unsubstituted cyclo-penta-dienyl ring is disordered over two orientations with site occupancies of 0.64?(2) and 0.36?(2). In the pyrrolizine ring, one C atom is disordered over two positions, with site occupancies of 0.71?(1) and 0.29?(1). Intra-molecular C-H?O inter-actions occur. The crystal packing is established through weak inter-molecular C-H?O and N-H?O inter-actions.

| S-EPMC3011590 | biostudies-literature

2,10-Dihydr-oxy-13-methyl-13-aza-tetra-cyclo-[9.3.1.0.0]penta-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(15)H(15)NO(4), the n-methyl-piperidone ring adopts a chair conformation and both five-membered rings adopt a twist conformation. An intra-molecular O-H?O hydrogen bond is observed. Inversion-related mol-ecules are linked into R(2) (2)(10) dimers by pairs of O-H?O hydrogen bonds. The crystal structure is further stabilized by C-H?O hydrogen bonds.

| S-EPMC2969762 | biostudies-literature

2-Hydr-oxy-16-[(E)-4-hydr-oxy-3-methoxy-benzyl-idene]-13-(4-hydr-oxy-3-methoxy-phen-yl)-11-methyl-1,11-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(32)H(30)N(2)O(7), the piperidone ring adopts a chair conformation and the five-membered ring of the dihydro-indenone ring system adopts an envelope conformation. Intra-molecular O-H?N and C-H?O hydrogen bonds occur. The dihedral angle between the two hydr-oxy-subsituted methoxy-phenyl rings is 71.12?(5)°. In the crystal structure, mol-ecules are connected by inter-molecular O-H?O hydrogen bonds, forming layers parallel to (001). These layers are further connected by C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2979481 | biostudies-other

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

16-[(E)-Benzyl-idene]-13-hy-droxy-4-methyl-2-phenyl-4,14-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-7(12),8,10-triene-6,17-dione.

Project description:In the title compound, C(30)H(26)N(2)O(3), the two pyrrolidine rings adopt twisted and envelope conformations, whereas the cyclo-pentane ring adopts an envelope conformation. The least-squares planes through the pyrrolidine rings form a dihedral angle of 41.72?(10)°. The mol-ecular structure is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(5) ring motif. Centrosymmetrically related mol-ecules are linked via two pairs of inter-molecular C-H?O inter-actions, forming R(2) (2)(16) ring motifs. In the crystal packing, the mol-ecules are linked into two-dimensional networks parallel to the ab plane via C-H?O inter-actions.

| S-EPMC3006797 | biostudies-other

14-Eth-oxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diaza-tetra-cyclo-[8.8.0.0(2,7).0(13,18)]octa-deca-2(7),13,15,17-tetra-ene-3,5,11-trione.

Project description:In the title compound, C23H20N2O6, the fused pyrone and pyran rings each adopt a sofa conformation. The dihedral angle between the mean planes of the pyran and phenyl rings is 61.9?(1)°. In the crystal, mol-ecules are linked by two pairs of C-H?O hydrogen bonds, forming dimers. These dimers are linked via a third C-H?O hydrogen bond, forming a two-dimensional network parallel to (10-2).

| S-EPMC3588261 | biostudies-literature

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