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3,5-Dibromo-4-oxo-2,2,6,6-tetra-methyl-piperidin-1-yl oxide.

ABSTRACT: In the title compound, C(9)H(14)Br(2)NO(2), the substituted ring exhibits a chair conformation. A crystallographic mirror plane, passing through the N atom, the O atoms and the C atom in the 4-position, bis-ects the mol-ecule.

SUBMITTER: Zhu GZ

PROVIDER: S-EPMC3238922 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-(1-Acryloyl-2,2,6,6-tetra-methyl-piperidin-4-yl)acryl-amide.

Project description:The title compound, C(15)H(24)N(2)O(2), crystallizes with two unique mol-ecules, (I) and (II), in the asymmetric unit, differing in the orientation of the acryloyl units with respect to the piperidine rings. The acryl-amide units are essentially planar in both mol-ecules (r.m.s. deviations = 0.042 and 0.024?Å, respectively), as are the C(3)N chains of the acryloyl units. The carbonyl O atoms of the acryloyl systems lie significantly out of these planes, viz. by -0.171?(9)?Å for molecule (I) and by 0.33?(1)?Å for molecule (II). The acryl-amide and acryloyl planes are inclined at 68.7?(4)° and 59.8?(3)° in the two mol-ecules. The piperidine rings each adopt twist boat conformations. In the crystal, strong N-H?O hydrogen bonds link the mol-ecules into zigzag C(4) chains along b. Additional C-H?O contacts result in the formation of stacks along a.

| S-EPMC3247421 | biostudies-literature

Crystal structure of 4-({5-[(E)-(3,5-di-fluoro-phen-yl)diazen-yl]-2-hy-droxy-benzyl-idene}amino)-2,2,6,6-tetra-methyl-piperidin-1-ox-yl.

Project description:The asymmetric unit of the title compound, C22H25F2N4O2, contains two crystallographically independent mol-ecules. In one mol-ecule, the two benzene rings are oriented at a dihedral angle of 1.93 (10)° and in the other mol-ecule the corresponding dihedral angle is 7.19 (9)°. The piperidine rings in the two mol-ecules adopt a similar distorted chair conformation, and both have pseudo-mirror planes passing through the N-O bonds. An intra-molecular O-H⋯N hydrogen bond between the hy-droxy group and the imine N atom is observed in both mol-ecules. In the crystal, weak C-H⋯O and C-H⋯F hydrogen bonds, enclosing R 2 (2)(6) ring motifs, and weak π-π stacking inter-actions link the mol-ecules into a three-dimensional supra-molecular network, with centroid-to-centroid distances between the nearly parallel phenyl and benzene rings of adjacent mol-ecules of 3.975 (2) and 3.782 (2) Å.

| S-EPMC4518987 | biostudies-literature

Crystal structure of 4-(prop-2-yn-yloxy)-2,2,6,6-tetra-methyl-piperidin-1-ox-yl.

Project description:The title compound, C12H20NO2, was synthesized from 4-hy-droxy-2,2,6,6-tetra-methyl-piperidin-1-oxyl (hy-droxy-TEMPO) and propargyl bromide. The six-membered ring adopts a flattened chair conformation and carries a propyn-yloxy substituent in an equatorial orientation at the 4-position. The N-O bond length of the piperidin-1-oxyl unit is 1.289 (3) Å. In the crystal, C-H⋯O hydrogen bonds combine with unusual C-H⋯π inter-actions involving the alkyne unit as acceptor to generate a three-dimensional network.

| S-EPMC4186184 | biostudies-literature

4-Aza-niumyl-2,2,6,6-tetra-methyl-piperidin-1-ium dinitrate.

Project description:In the crystal structure of the title salt, C9H22N2 (2+)·2NO3 (-), the piperidine ring of the dication adopts a chair conformation and the orientation of the C-NH3 bond is equatorial. The ions are linked by normal and bifurcated N-H?O hydrogen bonds in R 2 (2)(6), two R 4 (2)(8) and R 3 (4)(14) graf-set motifs, generating a three-dimensional network.

| S-EPMC4051017 | biostudies-literature

Crystal structure of 4-bromo-2-[(E)-N-(2,2,6,6-tetra-methyl-piperidin-4-yl)carboximido-yl]phenol dihydrate.

Project description:In the title hydrate, C16H23BrN2O·2H2O, the organic mol-ecule features a strong intra-molecular O-H?N hydrogen bond. The piperidine ring, in addition, adopts a chair conformation with the exocyclic C-N bond in an equatorial orientation. The water molecules of crystallization are disordered (each over two sets of sites with half occupancy. In the crystal, they associate into corrugated (100) sheets of (H2O)4 tetra-mers linked by O-H?O hydrogen bonds. The organic mol-ecules, in turn, are arranged at both sides of these sheets, linked by water-piperidine O-H?N hydrogen bonds.

| S-EPMC4420100 | biostudies-literature

2,2,6,6-Tetra-kis(biphenyl-2-yl)-4,4,8,8-tetra-methyl-cyclo-tetra-siloxane.

Project description:The title compound, [-Si(C(12)H(9))(2)OSi(CH(3))(2)O-](2), was obtained unintentionally as the product of an attempted crystallization of caesium bis-(biphenyl-2,2'-di-yl)fluoro-silicate from dimethyl-formamide. In the crystal, the mol-ecule is located on an inversion center and the siloxane ring adopts a twist-chair conformation with the two dimethyl-substituted Si atoms lying 0.7081 (5) Å out of the plane defined by the two bis-(biphenyl-2-yl)-substituted Si atoms and the four O atoms. In each Si(C(12)H(9))(2) unit, the orientation of one terminal phenyl ring relative to the phenyl-ene ring of the other biphenyl moiety suggests a parallel displaced π-π stacking inter-action [centroid distance = 4.2377 (11) Å and dihedral angle = 15.40 (9)°].

| S-EPMC2969922 | biostudies-literature

Comparison of the crystal structures of 4,4'-bis-[3-(4-methyl-piperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl and 4,4'-bis-[3-(2,2,6,6-tetra-methyl-piperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphen-yl.

Project description:As part of a comprehensive program to discover α9α10 nicotinic acetyl-choline receptor antagonists, the title compounds C30H36N2, (I), and C36H48N2, (II), were synthesized by coupling 4,4'-bis-(3-bromo-prop-1-yn-1-yl)-1,1'-biphenyl with 4-methyl-piperidine and 2,2,6,6-tetra-methyl-piperidine, respectively, in aceto-nitrile at room temperature. In compound (I), the biphenyl system has a twisted conformation with a dihedral angle of 26.57 (6)° between the two phenyl rings of the biphenyl moiety, while in compound (II), the biphenyl moiety sits on a crystallographic inversion centre so the two phenyl rings are exactly coplanar. The terminal piperidine rings in both compound (I) and compound (II) are in the chair conformation. In compound (I), the dihedral angles about the ethynyl groups between the planes of the phenyl rings and the piperidine ring N atoms are 37.16 (16) and 14.20 (17)°. In compound (II), the corresponding dihedral angles are both 61.48 (17)°. There are no noteworthy inter-molecular inter-actions in (I), but in (II) there is a small π-overlap between inversion-related mol-ecules (1 - x, 1 - y, 1 - z), with an inter-planar spacing of 3.553 (3) Å and centroid-to-centroid separation of 3.859 (4) Å.

| S-EPMC4647388 | biostudies-literature

Methyl 3,5-dibromo-4-methyl-benzoate.

Project description:In the title compound, C(9)H(8)Br(2)O(2), the mol-ecule is essentially planar with an r.m.s. deviation of 0.0652?Å from the mean plane through all non-H atoms and a dihedral angle of 7.1?(2)° between the benzene ring plane and the carboxyl-ate substituent. In the crystal structure, weak C-H?Br hydrogen bonds and weak inter-molecular O?Br contacts [3.095?(2)?Å], link adjacent mol-ecules into layers parallel to (102). Additional weak inter-molecular C-H?O hydrogen bond inter-actions stack the layers above and below the mol-ecular plane and down the a axis.

| S-EPMC2983755 | biostudies-literature

(3E,5E)-3,5-Bis(4-methyl-benzyl-idene)-1-[3-(piperidin-1-yl)propano-yl]piperidin-4-one.

Project description:In the title compound, C(29)H(34)N(2)O(2), the central piperidine ring adopts a half-chair conformation, whereas the terminal one adopts a chair conformation. The mean plane of the central piperidine ring [maximum deviation = 0.384 (2) Å] makes dihedral angles of 64.82 (13) and 17.55 (13)° with the benzene rings. In the crystal, mol-ecules are linked into a tape along the b axis via C-H⋯O inter-actions, generating R(2) (2)(20) and R(2) (1)(6) graph-set motifs. C-H⋯π inter-actions are observed between the tapes.

| S-EPMC3414948 | biostudies-literature

(1,10-Phenanthroline-κN,N')bis-(2,2,6,6-tetra-methyl-heptane-3,5-dionato-κO,O')nickel(II).

Project description:The title compound, [Ni(C(11)H(19)O(2))(2)(C(12)H(8)N(2))], was obtained from the reaction of bis-(2,2,6,6-tetra-methyl-heptane-3,5-dionato)nickel(II), [Ni(dpm)], and 1,10-phenanthroline (phen). The Ni(II) ion is coordinated by four O atoms from two dpm ligands and two N atoms from a phen ligand in a slightly distorted octa-hedral environment. The methyl C atoms of two of the tert-butyl groups are disordered over two sites, having approximate occupancies of 0.85 and 0.15 for the two components. In the crystal structure, there are no direction-specific inter-actions. Thermal studies showed that the title complex is stable to 623 K.

| S-EPMC2915153 | biostudies-literature

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