Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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.

ABSTRACT: 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.

SUBMITTER: Kumar RS

PROVIDER: S-EPMC3007522 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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.

Kumar Raju Suresh RS Osman Hasnah H Abdul Rahim Aisyah Saad AS Goh Jia Hao JH Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100724 Pt 8

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-molecul ...[more]

PMID: 21588384

Similar Datasets

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

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.

Project description: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.

| S-EPMC3050270 | biostudies-literature

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

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

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

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-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

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

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

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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data