Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-[(2S,6R)-Piperidine-2,6-di-yl]-di-pro-pan-2-ol.

ABSTRACT: In the title compound, C(11)H(23)NO(2), the piperidine ring has a chair conformation. The two hy-droxy H atoms are disordered over two positions with fixed occupancy ratios of 0.57:0.43 and 0.63:0.37. In the mol-ecule, there are two short N-H⋯O inter-actions. In the crystal, four symmetry-related mol-ecules are linked by O-H⋯O hydrogen bonds to form a cage-like arrangement, centered about the point of inter-section of three twofold axes. These cages stack along the [100] direction.

SUBMITTER: Journot G

PROVIDER: S-EPMC3297911 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N-[(2,6-Di-ethyl-phen-yl)carbamo-thio-yl]-2,2-di-phenyl-acetamide.

Project description:In the title compound, C25H26N2OS, the diethyl-substituted benzene ring forms dihedral angles of 67.38?(9) and 55.32?(9)° with the terminal benzene rings. The mol-ecule adopts a trans-cis conformation with respect to the orientations of the di-phenyl-methane and 1,3-di-ethyl-benzene groups with respect to the S atom across the C-N bonds. This conformation is stabilized by an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring. In the crystal, pairs of N-H?S hydrogen bonds link the mol-ecules into inversion dimers, forming R 2 (2)(6) loops. The dimer linkage is reinforced by a pair of C-H?S hydrogen bonds, which generate R 2 (2)(8) loops. Weak C-H?? and ?-? [centroid-centroid seperation = 3.8821?(10)?Å] inter-actions also occur in the crystal structure.

| S-EPMC3685105 | biostudies-literature

3,5-Dimethyl-2,6-di-phenyl-piperidine.

Project description:In the title compound, C19H23N, the piperidine ring has a chair conformation. The phenyl rings are inclined to one another by 52.76?(16)°. One of the methyl substituents on the piperidine ring is axial while the other is equatorial, like the phenyl rings. In the crystal, mol-ecules are linked via C-H?? inter-actions, forming zigzag chains along [001].

| S-EPMC3998580 | biostudies-literature

2,2'-[(Biphenyl-4,4'-di-yl)di(ethene-1,2-di-yl)]dibenzene-sulfonic acid-4-methyl-piperidine-water (1/2/2).

Project description:The title compound, C(28)H(22)O(6)S(2)·2C(6)H(13)N·2H(2)O, was prepared by the reaction of a Wittig reagent and 2-formyl-benzene-sulfonic acid. The main molecule lies about an inversion centre at the midpoint of the C-C bond between the inner benzene rings. The mol-ecular conformation is stabilized by intramolecular hydrogen bonds. The crystal structure is further stabilized by O-H?O and N-H?O hydrogen-bonding inter-actions.

| S-EPMC2977480 | biostudies-literature

rac-2,2'-(Thiane-2,6-di-yl)bis-[1-(4-bromo-phen-yl)ethanone].

Project description:In the title compound, C(21)H(20)Br(2)O(2)S, prepared by the reaction of 1,9-bis-(4-bromo-phen-yl)nona-2,7-diene-1,9-dione with sodium sulfide nona-hydrate in acetonitrile, the six-membered thio-pyran ring has a chair conformation while the H atoms ortho to the S atom adopt a cis configuration. The dihedral angle between the two benzene rings is 2.59?(8)°.

| S-EPMC3089314 | biostudies-literature

2,2'-(2,6-Pyridinedi-yl)diquinoline.

Project description:The title mol-ecule, C(23)H(15)N(3), is a terpyridine derivative resulting from the Friedländer annulation between 2,6-diacetyl-pyridine and N,N'-bis-(2-amino-benz-yl)ethyl-ene-di-amine. The asymmetric unit contains one half-mol-ecule, the complete mol-ecule being generated by a mirror plane (one N atom and one C atom lie on the plane). The mol-ecule, although aromatic, is deformed from planarity as a result of crystal packing forces: mol-ecules are stacked along the short c axis, with a short separation of 3.605?(1)?Å between the mean planes. The bent mol-ecular shape is reflected in the dihedral angle of 16.10?(5)° between the essentially planar quinoline groups. In addition to ??? inter-actions, the crystal structure features weak inter-stack C-H?N contacts involving atoms of the central pyridine rings which lie in a common crystallographic m plane.

| S-EPMC2983720 | biostudies-literature

Crystal structure of 1-[2-(2,6-di-chloro-phen-yl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol.

Project description:The central imidazole ring of the title compound, C24H20Cl2N2O, is twisted with respect to with the planes of the 2,6-di-chloro-benzene and two phenyl rings, making dihedral angles of 74.06?(18), 28.52?(17) and 67.65?(18)°, respectively. The phenyl ring not adjacent to the N-bonded 2-hy-droxy-propyl group shows the greatest twist, presumably to minimize steric inter-actions. In the crystal, mol-ecules are linked by O-H?N and C-H?O hydrogen-bond contacts into chains along the a-axis direction. The series of parallel chains form a two-dimensional sheet approximately parallel to the bc diagonal. In addition, C-H?? inter-actions are observed between the sheets. The atoms of the 2-hy-droxy-propyl group and the N atom of the 1H-imidazole ring to which it is bonded are disordered over two sets of sites, with an occupancy ratio of 0.722?(5):0.278?(5). The structure was refined as an inversion twin.

| S-EPMC4420112 | biostudies-literature

3-Ethyl-cis-2,6-di-phenyl-piperidine.

Project description:In the title compound, C19H23N, the piperidine ring adopts a chair conformation. The phenyl rings at the 2,6-positions of the piperidine ring occupy equatorial orientations. The crystal structure features C-H?? inter-actions.

| S-EPMC3884463 | biostudies-other

2,2'-(Propane-2,2-di-yl)dibenzothia-zole.

Project description:The two symmetry-independent mol-ecules in the asymmetric unit of the title compound, C(17)H(14)N(2)S(2), have similar geometry; the dihedral angles between the least-squares planes of the benzothia-zole groups in the two mol-ecules are 83.93?(3) and 81.26?(3)°.

| S-EPMC2983330 | biostudies-literature

4-tert-Butyl-pyridinium chloride-4,4'-(propane-2,2-di-yl)bis-(2,6-di-methyl-phenol)-toluene (2/2/1).

Project description:In the title solvated salt, C9H14N(+)·Cl(-)·C19H24O2·0.5C7H7, two mol-ecules of 4,4'-(propane-2,2-di-yl)bis-(2,6-di-methyl-phenol) are linked via O-H?Cl hydrogen bonds to two chloride ions, each of which is also engaged in N-H?Cl hydrogen bonding to a 4-tert-butyl-pyridinium cation, giving a cyclic hydrogen-bonded entity centred at 1/2, 1/2, 1/2. The toluene solvent mol-ecule resides in the lattice and resides on an inversion centre; the disorder of the methyl group requires it to have a site-occupancy factor of 0.5. No crystal packing channels are observed.

| S-EPMC3998618 | biostudies-literature

(2S)-2-[(2S*,5R*,6R*)-5,6-Dimeth-oxy-5,6-dimethyl-1,4-dioxan-2-yl]-1-[(S)-1,1-dimethyl-ethylsulfon-yl]aziridine.

Project description:The reaction of a sulfur ylide with a chiral non-racemic sulfinyl imine afforded the desired aziridine in excellent yield and subsequent oxidation of the sulfinyl moiety dissolved in anhydrous dichloro-methane using a 75% aqueous solution of 3-chloro-per-oxy-benzoic acid afforded the title compound, C(14)H(27)NO(6)S. The configuration of the newly formed stereogenic center at the point of attachment of the 1,4-dioxane ring to the aziridine ring is S. The configurations of the pre-existing sites 2-, 5-, and 6-positions of the 1,4-dioxane ring prior to reaction of sulfinyl imine with the sulfur ylide are S, R, and R, respectively. The C-N bond lengths of the aziridine are 1.478?(2) and 1.486?(2)?Å.

| S-EPMC3011582 | biostudies-literature