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2,4,6,8-Tetra-kis(4-fluoro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

ABSTRACT: In the title compound, C(31)H(24)F(4)N(2)O, the bicyclo-[3.3.1]nonane ring exists in a chair-boat conformation. Two of the four fluorine-substituted rings adopt equatorial dispositions with the piperidin-4-one rings. Mol-ecules are linked into a two-dimensional network parallel to (01) by N-H?O, C-H?F and C-H?O hydrogen bonds. Inter-molecular N-H?? and C-H?? inter-actions are also observed.

SUBMITTER: Natarajan S

PROVIDER: S-EPMC2960046 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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2,4,6,8-Tetra-kis(4-fluoro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Natarajan S S Sudhapriya V V Vijayakumar V V Shoba N N Suresh J J Lakshman P L Nilantha PL

Acta crystallographica. Section E, Structure reports online 20081129 Pt 12

In the title compound, C(31)H(24)F(4)N(2)O, the bicyclo-[3.3.1]nonane ring exists in a chair-boat conformation. Two of the four fluorine-substituted rings adopt equatorial dispositions with the piperidin-4-one rings. Mol-ecules are linked into a two-dimensional network parallel to (01) by N-H⋯O, C-H⋯F and C-H⋯O hydrogen bonds. Inter-molecular N-H⋯π and C-H⋯π inter-actions are also observed. ...[more]

PMID: 21581457

Similar Datasets

2,4,6,8-Tetra-kis(2-fluoro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Project description:The title compound, C(31)H(24)F(4)N(2)O, exists in a chair-boat conformation with an equatorial orientation of the 2-fluoro-phenyl groups on both sides of the secondary amino group of the chair form. The benzene rings in the 'chair' part are inclined to each other at 19.4 (1)°, while the equivalent angle between the benzene rings in the 'boat' part is 75.6 (1)°. One F atom was treated as disordered over two positions in a 0.838 (4):0.162 (4) ratio. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains along [001] and these chains are held together via weak N-H⋯F and C-H⋯F inter-actions.

| S-EPMC3569241 | biostudies-literature

2,4,6,8-Tetra-kis(4-ethyl-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Project description:The bicyclo-[3.3.1]nonane ring in the title compound, C(39)H(44)N(2)O, adopts a chair-boat conformation with the four benzene rings being directed away from the carbonyl group. The presence of C-H?O contacts leads to helical supra-molecular chains along the b axis.

| S-EPMC2979421 | biostudies-literature

2,4,6,8-Tetra-kis(4-chloro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one O-benzyl-oxime acetone monosolvate.

Project description:In the title compound, C(38)H(31)Cl(4)N(3)O·C(3)H(6)O, the 3,7-diaza-bicycle exists in a chair-boat conformation. The 4-chloro-phenyl groups attached to the chair form are equatorially oriented at an angle of 18.15 (3)° with respect to each other, whereas the 4-chloro-phenyl groups attached to the boat form are oriented at an angle of 32.64 (3)°. In the crystal, mol-ecules are linked by N-H⋯π and C-H⋯O inter-actions.

| S-EPMC3344591 | biostudies-literature

3-Nitroso-2,4,6,8-tetra-phenyl-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Project description:In the title compound, C(31)H(27)N(3)O(2), the two piperidine rings fused to each other each adopt a slightly distorted chair conformation. The phenyl rings on the N-unsubstituted piperidine ring occupy an equatorial position, while those on the N-nitroso-substituted piperidine ring are in axial positions. The NO group is approximately coplanar with the piperidine ring with a maximum deviation of 0.048?(4)?Å. The dihedral angles between the mean planes of the axially and equatorially oriented phenyl rings are 27.7?(1) and 31.9?(1)°, respectively. Mol-ecular packing is stabilized by weak inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC3152129 | biostudies-literature

2,4,6,8-Tetra-kis(4-bromo-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Project description:In the title compound, C(31)H(24)Br(4)N(2)O, one of the bromo-phenyl rings is disordered over two orientations with occupancies of 0.69?(2) and 0.31?(2). The bicyclo-[3.3.1]nonane ring system adopts a chair-boat conformation. In the crystal structure, mol-ecules are linked into chains along the c axis by inter-molecular C-H?O and N-H?O hydrogen bonds. Further stabilization is provided by C-H?? inter-actions.

| S-EPMC2979866 | biostudies-other

2,4,6,8-Tetra-kis(2-methoxy-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one diethyl ether hemisolvate.

Project description:In the title compound, C(35)H(36)N(2)O(5)·0.5C(4)H(10)O, the asymmetric unit contains one bicyclo-[3.3.1]nonane mol-ecule and a half-occupancy diethyl ether solvent with the O atom lying on a crystallographic inversion center. Two intra-molecular N-H?O hydrogen bonds generate S(6) ring motifs. The bicyclo-[3.3.1]nonane ring system adopts a chair-boat conformation. In the crystal structure, the mol-ecules are linked by weak inter-molecular C-H?N hydro-gen bonds into chains along the b axis; additional stabilization is provide by C-H?? inter-actions.

| S-EPMC2970300 | biostudies-other

syn-3-(4-Chloro-benz-yl)-1,5-dimethyl-3,7-diaza-bicyclo-[3.3.1]nonan-9-ol.

Project description:In the title compound, C(16)H(23)ClN(2)O, both six-membered rings adopt chair conformations, thus allowing the formation of an intra-molecular N-H?N hydrogen bond. In the crystal, adjacent mol-ecules are combined into chains running along the ac diagonal via O-H?N hydrogen bonds.

| S-EPMC3414303 | biostudies-literature

Crystal structures and supra-molecular features of 9,9-dimethyl-3,7-di-aza-bicyclo-[3.3.1]nonane-2,4,6,8-tetra-one, 3,7-di-aza-spiro-[bi-cyclo-[3.3.1]nonane-9,1'-cyclo-penta-ne]-2,4,6,8-tetra-one and 9-methyl-9-phenyl-3,7-di-aza-bicyclo-[3.3.1]nonane-2,4,6,8-tetra-one di-methyl-formamide monosolvate.

Project description:Compounds (I), C9H10N2O4, (II), C11H12N2O4, and (III), C14H12N2O4·C3H7NO represent 9,9-disubstituted-3,7-di-aza-bicyclo-[3.3.1]nonane-2,4,6,8-tetra-one deriv-atives with very similar mol-ecular geometries for the bicyclic framework: the dihedral angle between the planes of the imide groups is 74.87 (6), 73.86 (3) and 74.83 (6)° in (I)-(III), respectively. The dimethyl derivative (I) is positioned on a crystallographic twofold axis and its overall geometry deviates only slightly from idealized C2v symmetry. The spiro-cyclo-pentane derivative (II) and the phen-yl/methyl analog (III) retain only inter-nal Cs symmetry, which in the case of (II) coincides with crystallographic mirror symmetry. The cyclo-pentane moiety in (II) adopts an envelope conformation, with the spiro C atom deviating from the mean plane of the rest of the ring by 0.548 (2) Å. In compound (III), an N-H⋯O hydrogen bond is formed with the di-methyl-formamide solvent mol-ecule. In the crystal, both (I) and (II) form similar zigzag hydrogen-bonded ribbons through double inter-molecular N-H⋯O hydrogen bonds. However, whereas in (I) the ribbons are formed by two trans-arranged O=C-N-H amide fragments, the amide fragments are cis-positioned in (II). The formation of ribbons in (III) is apparently disrupted by participation of one of its N-H groups in hydrogen bonding with the solvent mol-ecule. As a result, the mol-ecules of (III) form zigzag chains rather than the ribbons through inter-molecular N-H⋯O hydrogen bonds. The crystal of (I) was a pseudo-merohedral twin.

| S-EPMC5499299 | biostudies-literature

2,4-Bis(2-fluoro-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one.

Project description:The title compound, C(20)H(19)F(2)NO, exists in a twin-chair conformation with an equatorial orientation of the two 2-fluoro-phenyl groups on both sides of the secondary amine group. The benzene rings are orientated at an angle of 25.68?(4)° with respect to one another and the F atoms point upwards (towards the carbonyl group). The crystal is stabilized by an inter-molecular N-H?? inter-action.

| S-EPMC2969275 | biostudies-literature

2,4-Bis(4-fluoro-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one.

Project description:In the title compound, C(20)H(19)F(2)NO, a crystallographic mirror plane bis-ects the mol-ecule, passing through the N, O and two C atoms of the central ring system. The mol-ecule exists in a twin-chair conformation with equatorial dispositions of the 4-fluoro-phenyl groups on both sides of the secondary amino groups; the dihedral angle between the aromatic ring planes is 28.67?(3)°.

| S-EPMC2960654 | biostudies-literature

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